(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C18H15ClO3 — CID 177260397

IUPAC(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1oc2cc(Cl)ccc2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H15ClO3/c1-3-15-17(14-9-6-12(19)10-16(14)22-15)18(20)11-4-7-13(21-2)8-5-11/h4-10H,3H2,1-2H3
InChIKeyPUZRKGXLWZDTPW-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.89
Rot. Bonds4

About (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 177260397) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID177260397
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1oc2cc(Cl)ccc2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H15ClO3/c1-3-15-17(14-9-6-12(19)10-16(14)22-15)18(20)11-4-7-13(21-2)8-5-11/h4-10H,3H2,1-2H3
InChIKeyPUZRKGXLWZDTPW-UHFFFAOYSA-N
XLogP4.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260414
(4-methoxyphenyl)-(4,5,6,7-tetradeuterio-2-ethyl-1-benzofuran-3-yl)methanone
CID 155287233
(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260422
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate
CID 139644437
(3,5-dibromo-4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone
CID 169442050
(6-bromo-2-ethyl-1-benzofuran-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 71512090
(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 70653167
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
(3-chloro-4-iodophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 103219720
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 177260397) is (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is CCc1oc2cc(Cl)ccc2c1C(=O)c1ccc(OC)cc1.
What is the InChIKey of (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is PUZRKGXLWZDTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-3-15-17(14-9-6-12(19)10-16(14)22-15)18(20)11-4-7-13(21-2)8-5-11/h4-10H,3H2,1-2H3.
What are the key properties of (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 314.77 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 177260397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).