2-(2-carboxy-2-phenylethyl)benzoic acid

C16H14O4 — CID 67665092

IUPAC2-(2-carboxy-2-phenylethyl)benzoic acid
SMILESO=C(O)c1ccccc1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H14O4/c17-15(18)13-9-5-4-8-12(13)10-14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20)
InChIKeyMNUZJVREXAJOHY-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-carboxy-2-phenylethyl)benzoic acid

2-(2-carboxy-2-phenylethyl)benzoic acid (PubChem CID 67665092) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2-carboxy-2-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-carboxy-2-phenylethyl)benzoic acid
PubChem CID67665092
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(2-carboxy-2-phenylethyl)benzoic acid
SMILESO=C(O)c1ccccc1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H14O4/c17-15(18)13-9-5-4-8-12(13)10-14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20)
InChIKeyMNUZJVREXAJOHY-UHFFFAOYSA-N
XLogP2.80
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-carboxy-2-(3,4-dichlorophenyl)ethyl]benzoic acid
CID 83954012
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342
2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616
2-[(2S)-2-(carboxyamino)propyl]benzoic acid
CID 69006409
methanediol;phthalic acid
CID 70525231
2-phenylbutanedioic acid
CID 161009404
2-ethylbenzoic acid;tungsten
CID 23518478
2-phenyl-3-phosphanylpropanoic acid
CID 174900432

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-2-phenylethyl)benzoic acid?
The IUPAC name of 2-(2-carboxy-2-phenylethyl)benzoic acid (CID 67665092) is 2-(2-carboxy-2-phenylethyl)benzoic acid.
What is the SMILES notation for 2-(2-carboxy-2-phenylethyl)benzoic acid?
The canonical SMILES for 2-(2-carboxy-2-phenylethyl)benzoic acid is O=C(O)c1ccccc1CC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-carboxy-2-phenylethyl)benzoic acid?
The InChIKey is MNUZJVREXAJOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-15(18)13-9-5-4-8-12(13)10-14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20).
What are the key properties of 2-(2-carboxy-2-phenylethyl)benzoic acid?
2-(2-carboxy-2-phenylethyl)benzoic acid has a molecular weight of 270.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-2-phenylethyl)benzoic acid is sourced from PubChem (CID 67665092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).