4-[2-(1-hydroxyethyl)phenyl]benzoic acid

C15H14O3 — CID 152687080

IUPAC4-[2-(1-hydroxyethyl)phenyl]benzoic acid
SMILESCC(O)c1ccccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14O3/c1-10(16)13-4-2-3-5-14(13)11-6-8-12(9-7-11)15(17)18/h2-10,16H,1H3,(H,17,18)
InChIKeyZOUHCXXGMDZSIB-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.11
Rot. Bonds3

About 4-[2-(1-hydroxyethyl)phenyl]benzoic acid

4-[2-(1-hydroxyethyl)phenyl]benzoic acid (PubChem CID 152687080) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[2-(1-hydroxyethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(1-hydroxyethyl)phenyl]benzoic acid
PubChem CID152687080
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-[2-(1-hydroxyethyl)phenyl]benzoic acid
SMILESCC(O)c1ccccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14O3/c1-10(16)13-4-2-3-5-14(13)11-6-8-12(9-7-11)15(17)18/h2-10,16H,1H3,(H,17,18)
InChIKeyZOUHCXXGMDZSIB-UHFFFAOYSA-N
XLogP3.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane-1,1-diol;terephthalic acid
CID 68971815
4-[4-[(R)-hydroxy-[2-(4-methylphenyl)phenyl]methyl]piperidin-1-yl]benzoic acid
CID 170102385
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
tris(propane-1,2-diol);terephthalic acid
CID 70477156
4-naphthalen-1-ylbenzoic acid
CID 2760151
4-[2-(2-hydroxyethyl)phenyl]benzoic acid
CID 175206383
4-[4-[[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]benzoic acid
CID 66723581
sodium;hydride;4-phenylbenzoic acid
CID 173392993
potassium;hydride;4-phenylbenzoic acid
CID 173045180
benzoic acid;4-methylbenzoic acid
CID 71272637
ethane;4-phenylbenzoic acid;propane
CID 156791718
benzoic acid;butane-1,3-diol
CID 66626965

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxyethyl)phenyl]benzoic acid?
The IUPAC name of 4-[2-(1-hydroxyethyl)phenyl]benzoic acid (CID 152687080) is 4-[2-(1-hydroxyethyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[2-(1-hydroxyethyl)phenyl]benzoic acid?
The canonical SMILES for 4-[2-(1-hydroxyethyl)phenyl]benzoic acid is CC(O)c1ccccc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(1-hydroxyethyl)phenyl]benzoic acid?
The InChIKey is ZOUHCXXGMDZSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10(16)13-4-2-3-5-14(13)11-6-8-12(9-7-11)15(17)18/h2-10,16H,1H3,(H,17,18).
What are the key properties of 4-[2-(1-hydroxyethyl)phenyl]benzoic acid?
4-[2-(1-hydroxyethyl)phenyl]benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxyethyl)phenyl]benzoic acid is sourced from PubChem (CID 152687080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).