2-(4-methoxy-3-phenylphenyl)acetic acid

C15H14O3 — CID 13025529

IUPAC2-(4-methoxy-3-phenylphenyl)acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccccc1
InChIInChI=1S/C15H14O3/c1-18-14-8-7-11(10-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyJHXCUSZPZNECKH-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.99
Rot. Bonds4

About 2-(4-methoxy-3-phenylphenyl)acetic acid

2-(4-methoxy-3-phenylphenyl)acetic acid (PubChem CID 13025529) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(4-methoxy-3-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-3-phenylphenyl)acetic acid
PubChem CID13025529
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-(4-methoxy-3-phenylphenyl)acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccccc1
InChIInChI=1S/C15H14O3/c1-18-14-8-7-11(10-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyJHXCUSZPZNECKH-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-phenylphenyl)acetic acid?
The IUPAC name of 2-(4-methoxy-3-phenylphenyl)acetic acid (CID 13025529) is 2-(4-methoxy-3-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-3-phenylphenyl)acetic acid?
The canonical SMILES for 2-(4-methoxy-3-phenylphenyl)acetic acid is COc1ccc(CC(=O)O)cc1-c1ccccc1.
What is the InChIKey of 2-(4-methoxy-3-phenylphenyl)acetic acid?
The InChIKey is JHXCUSZPZNECKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-14-8-7-11(10-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-(4-methoxy-3-phenylphenyl)acetic acid?
2-(4-methoxy-3-phenylphenyl)acetic acid has a molecular weight of 242.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-phenylphenyl)acetic acid is sourced from PubChem (CID 13025529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).