5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid

C22H15ClO4 — CID 986607

IUPAC5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3Cl)cc12
InChIInChI=1S/C22H15ClO4/c23-18-9-5-4-8-15(18)13-26-16-10-11-19-17(12-16)20(22(24)25)21(27-19)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)
InChIKeyAQULKWXHUZCFRK-UHFFFAOYSA-N
MW378.81 g/mol
LogP6.03
Rot. Bonds5

About 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid

5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid (PubChem CID 986607) has the molecular formula C22H15ClO4 and a molecular weight of 378.81 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
PubChem CID986607
Molecular FormulaC22H15ClO4
Molecular Weight378.81 g/mol
Exact Mass378.07
IUPAC Name5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3Cl)cc12
InChIInChI=1S/C22H15ClO4/c23-18-9-5-4-8-15(18)13-26-16-10-11-19-17(12-16)20(22(24)25)21(27-19)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)
InChIKeyAQULKWXHUZCFRK-UHFFFAOYSA-N
XLogP6.03
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.81
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-hydroxy-2-methyl-3-benzofurancarboxylate
CID 81704
Ketone, 3-benzoylbenzofuran-5-yl hydroperoxymethyl
CID 755496
Ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 624750
(2,5-Dimethoxyphenyl)(5-hydroxy-1-benzofuran-3-yl)methanone
CID 626866
(5-Hydroxy-1-benzofuran-3-yl)(4-methoxyphenyl)methanone
CID 687117
(2,5-Dihydroxyphenyl)(5-hydroxy-3-benzofuranyl)methanone
CID 687118
2-Methyl-5-[(2-methylphenyl)methoxy]-1-benzofuran-3-carboxylic acid
CID 702034
5-[(2-Fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 708273
Ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 803446
5-[(2-Chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854743
(4-Chlorophenyl)(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
CID 876279
(4-Chlorophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone
CID 914303

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid (CID 986607) is 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3Cl)cc12.
What is the InChIKey of 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid?
The InChIKey is AQULKWXHUZCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO4/c23-18-9-5-4-8-15(18)13-26-16-10-11-19-17(12-16)20(22(24)25)21(27-19)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25).
What are the key properties of 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid?
5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid has a molecular weight of 378.81 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 986607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).