2,2-bis(4-hydroxy-3-methylphenyl)acetic acid

C16H16O4 — CID 19899945

IUPAC2,2-bis(4-hydroxy-3-methylphenyl)acetic acid
SMILESCc1cc(C(C(=O)O)c2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C16H16O4/c1-9-7-11(3-5-13(9)17)15(16(19)20)12-4-6-14(18)10(2)8-12/h3-8,15,17-18H,1-2H3,(H,19,20)
InChIKeyPIUKPDSLQACQJE-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.93
Rot. Bonds3

About 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid

2,2-bis(4-hydroxy-3-methylphenyl)acetic acid (PubChem CID 19899945) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2,2-bis(4-hydroxy-3-methylphenyl)acetic acid
PubChem CID19899945
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2,2-bis(4-hydroxy-3-methylphenyl)acetic acid
SMILESCc1cc(C(C(=O)O)c2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C16H16O4/c1-9-7-11(3-5-13(9)17)15(16(19)20)12-4-6-14(18)10(2)8-12/h3-8,15,17-18H,1-2H3,(H,19,20)
InChIKeyPIUKPDSLQACQJE-UHFFFAOYSA-N
XLogP2.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
CID 130654274
3-(4-hydroxy-3-methylphenyl)-2-methylbutanoic acid
CID 20647414
1-amino-1-(4-hydroxy-3-methylphenyl)propan-2-one
CID 55295295
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
4-(1-methoxyethyl)-2-methylphenol
CID 142839591
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724
benzene-1,2-diol;2,2-diphenylacetic acid
CID 70395054
2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid
CID 21455364
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid?
The IUPAC name of 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid (CID 19899945) is 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid.
What is the SMILES notation for 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid?
The canonical SMILES for 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid is Cc1cc(C(C(=O)O)c2ccc(O)c(C)c2)ccc1O.
What is the InChIKey of 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid?
The InChIKey is PIUKPDSLQACQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-9-7-11(3-5-13(9)17)15(16(19)20)12-4-6-14(18)10(2)8-12/h3-8,15,17-18H,1-2H3,(H,19,20).
What are the key properties of 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid?
2,2-bis(4-hydroxy-3-methylphenyl)acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-hydroxy-3-methylphenyl)acetic acid is sourced from PubChem (CID 19899945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).