T0U

4,4'-methylenediphenol

Created:	2022-07-14
Last modified:	2022-11-02

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1 entries where T0U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of T0U

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Chemical Component Summary
Name	4,4'-methylenediphenol
Synonyms	Bisphenol F
Systematic Name (OpenEye OEToolkits)	4-[(4-hydroxyphenyl)methyl]phenol
Formula	C₁₃ H₁₂ O₂
Molecular Weight	200.233
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(Cc2ccc(O)cc2)cc1
SMILES	CACTVS	3.385	Oc1ccc(Cc2ccc(O)cc2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1Cc2ccc(cc2)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(Cc2ccc(O)cc2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1Cc2ccc(cc2)O)O
InChI	InChI	1.06	InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2
InChIKey	InChI	1.06	PXKLMJQFEQBVLD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12111
ChEMBL	CHEMBL138061
ChEBI	CHEBI:34575
CCDC/CSD	FIDLUA, YUCQUJ, FIDLIO, FAGFAW, WIMCOL, AQONIG
COD	4505073, 2017314

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