2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid

C16H15ClO4 — CID 4050119

IUPAC2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid
SMILESCOc1ccc(COC(C(=O)O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H15ClO4/c1-20-14-8-7-11(9-13(14)17)10-21-15(16(18)19)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyMHVSPIFKHORJKX-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.69
Rot. Bonds6

About 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid

2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid (PubChem CID 4050119) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid
PubChem CID4050119
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid
SMILESCOc1ccc(COC(C(=O)O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H15ClO4/c1-20-14-8-7-11(9-13(14)17)10-21-15(16(18)19)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyMHVSPIFKHORJKX-UHFFFAOYSA-N
XLogP3.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid (CID 4050119) is 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid is COc1ccc(COC(C(=O)O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid?
The InChIKey is MHVSPIFKHORJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-14-8-7-11(9-13(14)17)10-21-15(16(18)19)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid?
2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid has a molecular weight of 306.75 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methoxy]-2-phenylacetic acid is sourced from PubChem (CID 4050119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).