2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid

C17H18O3 — CID 139750828

IUPAC2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid
SMILESCCC(C)(c1ccccc1)c1cccc(C(=O)O)c1O
InChIInChI=1S/C17H18O3/c1-3-17(2,12-8-5-4-6-9-12)14-11-7-10-13(15(14)18)16(19)20/h4-11,18H,3H2,1-2H3,(H,19,20)
InChIKeyFLCPMBBMPQCNJB-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.81
Rot. Bonds4

About 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid

2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid (PubChem CID 139750828) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid
PubChem CID139750828
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid
SMILESCCC(C)(c1ccccc1)c1cccc(C(=O)O)c1O
InChIInChI=1S/C17H18O3/c1-3-17(2,12-8-5-4-6-9-12)14-11-7-10-13(15(14)18)16(19)20/h4-11,18H,3H2,1-2H3,(H,19,20)
InChIKeyFLCPMBBMPQCNJB-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-tritylbenzoic acid
CID 19779155
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164
3-tert-butyl-2-hydroxybenzoic acid;diphenyl carbonate
CID 87346943
2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid
CID 67818345
2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
CID 14883392
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
2-ethyl-3-(2-hydroxypropan-2-yl)benzoic acid
CID 57076589
2-(2-sulfanylpropan-2-yl)benzoic acid
CID 91874166
2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid (CID 139750828) is 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid is CCC(C)(c1ccccc1)c1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid?
The InChIKey is FLCPMBBMPQCNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-17(2,12-8-5-4-6-9-12)14-11-7-10-13(15(14)18)16(19)20/h4-11,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid?
2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.81, 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-phenylbutan-2-yl)benzoic acid is sourced from PubChem (CID 139750828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).