(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone

C15H15ClO3 — CID 104666651

IUPAC(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
SMILESCOc1cc(Cl)cc2cc(C(=O)C3CCCC3)oc12
InChIInChI=1S/C15H15ClO3/c1-18-13-8-11(16)6-10-7-12(19-15(10)13)14(17)9-4-2-3-5-9/h6-9H,2-5H2,1H3
InChIKeyADSIXQXHTRTAQU-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.47
Rot. Bonds3

About (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone

(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone (PubChem CID 104666651) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
PubChem CID104666651
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
SMILESCOc1cc(Cl)cc2cc(C(=O)C3CCCC3)oc12
InChIInChI=1S/C15H15ClO3/c1-18-13-8-11(16)6-10-7-12(19-15(10)13)14(17)9-4-2-3-5-9/h6-9H,2-5H2,1H3
InChIKeyADSIXQXHTRTAQU-UHFFFAOYSA-N
XLogP4.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
CID 2060035
5-chloro-7-methoxy-1-benzofuran-2-carboxylate
CID 2060034
(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone
CID 65427632
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
(5-chloro-7-methoxy-1-benzofuran-2-yl)-[(4S)-4-(dimethylamino)azepan-1-yl]methanone
CID 95718446
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108580378
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108614562
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108652585
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108650062
5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide
CID 118784606
[(3aS,6aS)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-(5-chloro-7-methoxy-1-benzofuran-2-yl)methanone
CID 157014808
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 104666705

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone?
The IUPAC name of (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone (CID 104666651) is (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone.
What is the SMILES notation for (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone?
The canonical SMILES for (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone is COc1cc(Cl)cc2cc(C(=O)C3CCCC3)oc12.
What is the InChIKey of (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone?
The InChIKey is ADSIXQXHTRTAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c1-18-13-8-11(16)6-10-7-12(19-15(10)13)14(17)9-4-2-3-5-9/h6-9H,2-5H2,1H3.
What are the key properties of (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone?
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone has a molecular weight of 278.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone is sourced from PubChem (CID 104666651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).