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

C20H15ClO3 — CID 53228734

IUPAC4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H15ClO3/c21-16-8-11-18(20(22)23)19(12-16)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
InChIKeyBTLJTICUBSIMOK-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.28
Rot. Bonds5

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

4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid (PubChem CID 53228734) has the molecular formula C20H15ClO3 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
PubChem CID53228734
Molecular FormulaC20H15ClO3
Molecular Weight338.79 g/mol
Exact Mass338.07
IUPAC Name4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H15ClO3/c21-16-8-11-18(20(22)23)19(12-16)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
InChIKeyBTLJTICUBSIMOK-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

4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
4-chloro-2-phenylbenzoic acid
CID 11424784
4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225386
(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
CID 18204640
2,4-dichloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 2396916
ethane;4-phenylmethoxyphthalic acid
CID 90802135
2-[3-chloro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516053
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928
5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-fluorobenzoic acid
CID 21112963
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
1-[(4-chlorophenyl)methyl]-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid
CID 25030432
2-carboxy-5-phenylmethoxyphenolate
CID 86309199

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid (CID 53228734) is 4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid is O=C(O)c1ccc(Cl)cc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid?
The InChIKey is BTLJTICUBSIMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO3/c21-16-8-11-18(20(22)23)19(12-16)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23).
What are the key properties of 4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid?
4-chloro-2-(4-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-2-(4-phenylmethoxyphenyl)benzoic acid is sourced from PubChem (CID 53228734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).