2-(3-methoxyphenyl)acetic acid

C9H10O3 — CID 15719

IUPAC2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyLEGPZHPSIPPYIO-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.32
Rot. Bonds3

About 2-(3-methoxyphenyl)acetic acid

2-(3-methoxyphenyl)acetic acid (PubChem CID 15719) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)acetic acid
PubChem CID15719
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyLEGPZHPSIPPYIO-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-methoxyphenyl)acetic acid (CID 15719) is 2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-methoxyphenyl)acetic acid is COc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)acetic acid?
The InChIKey is LEGPZHPSIPPYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of 2-(3-methoxyphenyl)acetic acid?
2-(3-methoxyphenyl)acetic acid has a molecular weight of 166.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 15719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).