4-[2-(2-phenoxyphenyl)ethyl]benzoic acid

C21H18O3 — CID 22400838

IUPAC4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-21(23)18-14-11-16(12-15-18)10-13-17-6-4-5-9-20(17)24-19-7-2-1-3-8-19/h1-9,11-12,14-15H,10,13H2,(H,22,23)
InChIKeyDQMIAOIGYOQPIR-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.96
Rot. Bonds6

About 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid

4-[2-(2-phenoxyphenyl)ethyl]benzoic acid (PubChem CID 22400838) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
PubChem CID22400838
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-21(23)18-14-11-16(12-15-18)10-13-17-6-4-5-9-20(17)24-19-7-2-1-3-8-19/h1-9,11-12,14-15H,10,13H2,(H,22,23)
InChIKeyDQMIAOIGYOQPIR-UHFFFAOYSA-N
XLogP4.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-phenoxyphenyl)propoxy]benzoic acid
CID 57156772
4-[(2-phenoxyphenyl)methylamino]benzoic acid
CID 71055366
4-phenoxybenzoic acid;hydrochloride
CID 70385625
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-(2-phenoxyphenyl)ethanethiol
CID 164663876
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
3,4-diphenoxybenzoic acid
CID 70590459
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
CID 18973964
4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid
CID 67576442
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
4-(4-carboxyphenoxy)benzoic acid;2-[(2-carboxyphenyl)methyl]benzoic acid
CID 70360601

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid?
The IUPAC name of 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid (CID 22400838) is 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid is O=C(O)c1ccc(CCc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid?
The InChIKey is DQMIAOIGYOQPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-21(23)18-14-11-16(12-15-18)10-13-17-6-4-5-9-20(17)24-19-7-2-1-3-8-19/h1-9,11-12,14-15H,10,13H2,(H,22,23).
What are the key properties of 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid?
4-[2-(2-phenoxyphenyl)ethyl]benzoic acid has a molecular weight of 318.37 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenoxyphenyl)ethyl]benzoic acid is sourced from PubChem (CID 22400838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).