2-methoxy-2-(4-methoxyphenyl)acetic acid

C10H12O4 — CID 14813824

IUPAC2-methoxy-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(OC)C(=O)O)cc1
InChIInChI=1S/C10H12O4/c1-13-8-5-3-7(4-6-8)9(14-2)10(11)12/h3-6,9H,1-2H3,(H,11,12)
InChIKeyWHGLWFDLHAFGMG-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.47
Rot. Bonds4

About 2-methoxy-2-(4-methoxyphenyl)acetic acid

2-methoxy-2-(4-methoxyphenyl)acetic acid (PubChem CID 14813824) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-methoxy-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-methoxy-2-(4-methoxyphenyl)acetic acid
PubChem CID14813824
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-methoxy-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(OC)C(=O)O)cc1
InChIInChI=1S/C10H12O4/c1-13-8-5-3-7(4-6-8)9(14-2)10(11)12/h3-6,9H,1-2H3,(H,11,12)
InChIKeyWHGLWFDLHAFGMG-UHFFFAOYSA-N
XLogP1.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-methoxy-2-(4-methoxyphenyl)acetic acid (CID 14813824) is 2-methoxy-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-methoxy-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-methoxy-2-(4-methoxyphenyl)acetic acid is COc1ccc(C(OC)C(=O)O)cc1.
What is the InChIKey of 2-methoxy-2-(4-methoxyphenyl)acetic acid?
The InChIKey is WHGLWFDLHAFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-8-5-3-7(4-6-8)9(14-2)10(11)12/h3-6,9H,1-2H3,(H,11,12).
What are the key properties of 2-methoxy-2-(4-methoxyphenyl)acetic acid?
2-methoxy-2-(4-methoxyphenyl)acetic acid has a molecular weight of 196.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 14813824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).