2-[3-(methoxymethyl)phenyl]acetic acid

C10H12O3 — CID 18417120

IUPAC2-[3-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H12O3/c1-13-7-9-4-2-3-8(5-9)6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyWVAGPNRMUXCPSH-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.46
Rot. Bonds4

About 2-[3-(methoxymethyl)phenyl]acetic acid

2-[3-(methoxymethyl)phenyl]acetic acid (PubChem CID 18417120) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenyl]acetic acid
PubChem CID18417120
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-[3-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H12O3/c1-13-7-9-4-2-3-8(5-9)6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyWVAGPNRMUXCPSH-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(methoxymethyl)phenyl]acetic acid (CID 18417120) is 2-[3-(methoxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(methoxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(methoxymethyl)phenyl]acetic acid is COCc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenyl]acetic acid?
The InChIKey is WVAGPNRMUXCPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-7-9-4-2-3-8(5-9)6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12).
What are the key properties of 2-[3-(methoxymethyl)phenyl]acetic acid?
2-[3-(methoxymethyl)phenyl]acetic acid has a molecular weight of 180.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenyl]acetic acid is sourced from PubChem (CID 18417120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).