3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid

C20H15ClO3 — CID 175382134

IUPAC3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(=C(c2ccc(Cl)cc2)c2coc3ccccc23)C1
InChIInChI=1S/C20H15ClO3/c21-15-7-5-12(6-8-15)19(13-9-14(10-13)20(22)23)17-11-24-18-4-2-1-3-16(17)18/h1-8,11,14H,9-10H2,(H,22,23)/b19-13-
InChIKeyUYUDUWQOYQXFDZ-UYRXBGFRSA-N
MW338.79 g/mol
LogP5.38
Rot. Bonds3

About 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid

3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid (PubChem CID 175382134) has the molecular formula C20H15ClO3 and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid
PubChem CID175382134
Molecular FormulaC20H15ClO3
Molecular Weight338.79 g/mol
Exact Mass338.07
IUPAC Name3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(=C(c2ccc(Cl)cc2)c2coc3ccccc23)C1
InChIInChI=1S/C20H15ClO3/c21-15-7-5-12(6-8-15)19(13-9-14(10-13)20(22)23)17-11-24-18-4-2-1-3-16(17)18/h1-8,11,14H,9-10H2,(H,22,23)/b19-13-
InChIKeyUYUDUWQOYQXFDZ-UYRXBGFRSA-N
XLogP5.38
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 43802131
1-benzofuran-3-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893049
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid
CID 46846331
2-(1-benzofuran-3-yl)-2-diazoacetic acid
CID 123632265
4-(4-chlorobenzoyl)isochromen-1-one
CID 139052202
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945816
1-(1-benzofuran-3-yl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103039484
8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810
CID 89242212
CID 89242212
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
CID 164656337

Frequently Asked Questions

What is the IUPAC name of 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid (CID 175382134) is 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid is O=C(O)C1CC(=C(c2ccc(Cl)cc2)c2coc3ccccc23)C1.
What is the InChIKey of 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid?
The InChIKey is UYUDUWQOYQXFDZ-UYRXBGFRSA-N. The full InChI is InChI=1S/C20H15ClO3/c21-15-7-5-12(6-8-15)19(13-9-14(10-13)20(22)23)17-11-24-18-4-2-1-3-16(17)18/h1-8,11,14H,9-10H2,(H,22,23)/b19-13-.
What are the key properties of 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid?
3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid has a molecular weight of 338.79 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 175382134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).