2-phenylmethoxy-1-benzofuran-3-carboxylic acid

C16H12O4 — CID 175937042

IUPAC2-phenylmethoxy-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(OCc2ccccc2)oc2ccccc12
InChIInChI=1S/C16H12O4/c17-15(18)14-12-8-4-5-9-13(12)20-16(14)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyIWBGEMFVXZOOAF-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.71
Rot. Bonds4

About 2-phenylmethoxy-1-benzofuran-3-carboxylic acid

2-phenylmethoxy-1-benzofuran-3-carboxylic acid (PubChem CID 175937042) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-phenylmethoxy-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-phenylmethoxy-1-benzofuran-3-carboxylic acid
PubChem CID175937042
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2-phenylmethoxy-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(OCc2ccccc2)oc2ccccc12
InChIInChI=1S/C16H12O4/c17-15(18)14-12-8-4-5-9-13(12)20-16(14)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyIWBGEMFVXZOOAF-UHFFFAOYSA-N
XLogP3.71
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenylmethoxy-1-benzofuran-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

CID 6334341
CID 6334341
3-methyl-2-[(3-methyl-1-benzofuran-2-yl)amino]-6-phenylmethoxybenzoic acid
CID 175228220
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008
2-chloro-1-benzofuran-3-carboxylic acid
CID 83818774
3-chloro-4-phenylmethoxychromen-2-one
CID 15532422
2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 83209336
2-oxo-4-(2-phenylethyl)chromene-3-carboxylic acid
CID 101228939
3-phenyl-4-phenylmethoxychromen-2-one
CID 70697167
2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 63686877
1-(2-benzyl-1-benzofuran-3-yl)ethanone
CID 13024727
methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
CID 14791371

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-phenylmethoxy-1-benzofuran-3-carboxylic acid (CID 175937042) is 2-phenylmethoxy-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-phenylmethoxy-1-benzofuran-3-carboxylic acid is O=C(O)c1c(OCc2ccccc2)oc2ccccc12.
What is the InChIKey of 2-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The InChIKey is IWBGEMFVXZOOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-15(18)14-12-8-4-5-9-13(12)20-16(14)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18).
What are the key properties of 2-phenylmethoxy-1-benzofuran-3-carboxylic acid?
2-phenylmethoxy-1-benzofuran-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 175937042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).