2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid

C17H18O3 — CID 61023494

IUPAC2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid
SMILESCC(C)c1ccc(C(O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H18O3/c1-11(2)12-7-9-13(10-8-12)16(18)14-5-3-4-6-15(14)17(19)20/h3-11,16,18H,1-2H3,(H,19,20)
InChIKeyGSYFYRLKPKRXEG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.59
Rot. Bonds4

About 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid

2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid (PubChem CID 61023494) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid
PubChem CID61023494
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid
SMILESCC(C)c1ccc(C(O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H18O3/c1-11(2)12-7-9-13(10-8-12)16(18)14-5-3-4-6-15(14)17(19)20/h3-11,16,18H,1-2H3,(H,19,20)
InChIKeyGSYFYRLKPKRXEG-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid?
The IUPAC name of 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid (CID 61023494) is 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid.
What is the SMILES notation for 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid?
The canonical SMILES for 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid is CC(C)c1ccc(C(O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid?
The InChIKey is GSYFYRLKPKRXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11(2)12-7-9-13(10-8-12)16(18)14-5-3-4-6-15(14)17(19)20/h3-11,16,18H,1-2H3,(H,19,20).
What are the key properties of 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid?
2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid is sourced from PubChem (CID 61023494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).