2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid

C15H13ClO3 — CID 54758883

IUPAC2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccc(Cl)c(-c2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C15H13ClO3/c1-19-12-6-7-14(16)13(9-12)11-4-2-10(3-5-11)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyHOGDZTPEZJGOOR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.64
Rot. Bonds4

About 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid

2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid (PubChem CID 54758883) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
PubChem CID54758883
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccc(Cl)c(-c2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C15H13ClO3/c1-19-12-6-7-14(16)13(9-12)11-4-2-10(3-5-11)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyHOGDZTPEZJGOOR-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53218398
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-[4-chloro-3-(4-methoxyphenyl)phenyl]ethanol
CID 170838643
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid
CID 19830792
4-(2-chloro-5-methoxyphenyl)but-3-enoic acid
CID 85222099
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480
2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid
CID 82039332
1-[4-(2-fluoro-4-methoxyphenyl)phenyl]propan-2-one
CID 82541027
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid (CID 54758883) is 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid is COc1ccc(Cl)c(-c2ccc(CC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid?
The InChIKey is HOGDZTPEZJGOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-19-12-6-7-14(16)13(9-12)11-4-2-10(3-5-11)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid?
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid has a molecular weight of 276.72 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 54758883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).