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

C15H14O3 — CID 175206383

IUPAC4-[2-(2-hydroxyethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2CCO)cc1
InChIInChI=1S/C15H14O3/c16-10-9-11-3-1-2-4-14(11)12-5-7-13(8-6-12)15(17)18/h1-8,16H,9-10H2,(H,17,18)
InChIKeyCNDJHEZXXRKCIO-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.59
Rot. Bonds4

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

4-[2-(2-hydroxyethyl)phenyl]benzoic acid (PubChem CID 175206383) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)phenyl]benzoic acid
PubChem CID175206383
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-[2-(2-hydroxyethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2CCO)cc1
InChIInChI=1S/C15H14O3/c16-10-9-11-3-1-2-4-14(11)12-5-7-13(8-6-12)15(17)18/h1-8,16H,9-10H2,(H,17,18)
InChIKeyCNDJHEZXXRKCIO-UHFFFAOYSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
methanesulfonic acid;2-(2-phenylphenyl)ethanol
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4-naphthalen-1-ylbenzoic acid
CID 2760151
1-phenyl-3-(2-phenylphenyl)propan-1-one
CID 159880463
2-[2-(3,4-difluorophenyl)phenyl]ethanol
CID 71742773
4-(2-hydroxyethyl)benzoic acid
CID 506062
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid
CID 10014196
benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol
CID 174482938
methyl 4-[2-(2-aminoethyl)phenyl]benzoate
CID 1393592
4-(2-ethylphenyl)benzamide
CID 69080578

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)phenyl]benzoic acid?
The IUPAC name of 4-[2-(2-hydroxyethyl)phenyl]benzoic acid (CID 175206383) is 4-[2-(2-hydroxyethyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)phenyl]benzoic acid?
The canonical SMILES for 4-[2-(2-hydroxyethyl)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccccc2CCO)cc1.
What is the InChIKey of 4-[2-(2-hydroxyethyl)phenyl]benzoic acid?
The InChIKey is CNDJHEZXXRKCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-10-9-11-3-1-2-4-14(11)12-5-7-13(8-6-12)15(17)18/h1-8,16H,9-10H2,(H,17,18).
What are the key properties of 4-[2-(2-hydroxyethyl)phenyl]benzoic acid?
4-[2-(2-hydroxyethyl)phenyl]benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)phenyl]benzoic acid is sourced from PubChem (CID 175206383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).