2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid

C17H18O3 — CID 67818345

IUPAC2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid
SMILESCC(C)(Cc1cccc(C(=O)O)c1O)c1ccccc1
InChIInChI=1S/C17H18O3/c1-17(2,13-8-4-3-5-9-13)11-12-7-6-10-14(15(12)18)16(19)20/h3-10,18H,11H2,1-2H3,(H,19,20)
InChIKeyLJNNCWLCBOXFDM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.61
Rot. Bonds4

About 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid

2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid (PubChem CID 67818345) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid
PubChem CID67818345
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid
SMILESCC(C)(Cc1cccc(C(=O)O)c1O)c1ccccc1
InChIInChI=1S/C17H18O3/c1-17(2,13-8-4-3-5-9-13)11-12-7-6-10-14(15(12)18)16(19)20/h3-10,18H,11H2,1-2H3,(H,19,20)
InChIKeyLJNNCWLCBOXFDM-UHFFFAOYSA-N
XLogP3.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
CID 139751324
2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid
CID 139750828
3-[(3-acetyl-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
CID 67076238
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
2-hydroxy-3-tritylbenzoic acid
CID 19779155
3-butyl-2-hydroxybenzoic acid
CID 18681512
2-(2-amino-2-methylpropyl)benzoic acid
CID 175240257
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164
3-heptyl-2-hydroxybenzoic acid
CID 67845198
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
2-(2-methoxy-2-methylpropyl)benzoic acid
CID 117111489
2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid
CID 21221868

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid?
The IUPAC name of 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid (CID 67818345) is 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid is CC(C)(Cc1cccc(C(=O)O)c1O)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid?
The InChIKey is LJNNCWLCBOXFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(2,13-8-4-3-5-9-13)11-12-7-6-10-14(15(12)18)16(19)20/h3-10,18H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid?
2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid is sourced from PubChem (CID 67818345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).