3-hydroxy-2-methyl-3,3-diphenylpropanoic acid

C16H16O3 — CID 2750463

IUPAC3-hydroxy-2-methyl-3,3-diphenylpropanoic acid
SMILESCC(C(=O)O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3/c1-12(15(17)18)16(19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,19H,1H3,(H,17,18)
InChIKeyBAKJMAWIFLODFD-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.64
Rot. Bonds4

About 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid

3-hydroxy-2-methyl-3,3-diphenylpropanoic acid (PubChem CID 2750463) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3,3-diphenylpropanoic acid
PubChem CID2750463
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-hydroxy-2-methyl-3,3-diphenylpropanoic acid
SMILESCC(C(=O)O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3/c1-12(15(17)18)16(19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,19H,1H3,(H,17,18)
InChIKeyBAKJMAWIFLODFD-UHFFFAOYSA-N
XLogP2.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzilic acid
CID 6463
(+-)-Cyclohexylphenylglycolic acid
CID 97700
Diphenylacetic Acid
CID 8333
Fencibutirol
CID 71170
Atrolactic acid
CID 1303
rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 68776
Methyl benzilate
CID 66159
AC55649
CID 1714884
(S)-Atrolactic acid
CID 445144
Benzenepropanoic acid, alpha-(phenylmethyl)-
CID 64800
1-Hydroxy-alpha-phenylcyclopentylacetic acid
CID 91332
4-Pentyl-4'-biphenylcarboxylic Acid
CID 2063335

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid?
The IUPAC name of 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid (CID 2750463) is 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid?
The canonical SMILES for 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid is CC(C(=O)O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid?
The InChIKey is BAKJMAWIFLODFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(15(17)18)16(19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,19H,1H3,(H,17,18).
What are the key properties of 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid?
3-hydroxy-2-methyl-3,3-diphenylpropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3,3-diphenylpropanoic acid is sourced from PubChem (CID 2750463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).