4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid

C20H15ClO3 — CID 53228674

IUPAC4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H15ClO3/c21-18-11-10-15(20(22)23)12-17(18)16-8-4-5-9-19(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyJARAOQYYLZGCMK-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.28
Rot. Bonds5

About 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid

4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid (PubChem CID 53228674) has the molecular formula C20H15ClO3 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
PubChem CID53228674
Molecular FormulaC20H15ClO3
Molecular Weight338.79 g/mol
Exact Mass338.07
IUPAC Name4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H15ClO3/c21-18-11-10-15(20(22)23)12-17(18)16-8-4-5-9-19(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyJARAOQYYLZGCMK-UHFFFAOYSA-N
XLogP5.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
4-(2,6-dichlorobenzoyl)-3,5-bis(phenylmethoxy)benzoic acid
CID 54042126
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
4-anilino-3-phenylmethoxybenzoic acid
CID 123431173
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
3-(1,3-dioxol-2-yl)-4-phenylmethoxybenzoic acid
CID 178077157
4-chloro-3-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 17059033
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid?
The IUPAC name of 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid (CID 53228674) is 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid is O=C(O)c1ccc(Cl)c(-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid?
The InChIKey is JARAOQYYLZGCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO3/c21-18-11-10-15(20(22)23)12-17(18)16-8-4-5-9-19(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23).
What are the key properties of 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid?
4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid has a molecular weight of 338.79 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid is sourced from PubChem (CID 53228674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).