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

C18H15ClO3 — CID 177260414

IUPAC(4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1oc2cccc(Cl)c2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H15ClO3/c1-3-14-17(16-13(19)5-4-6-15(16)22-14)18(20)11-7-9-12(21-2)10-8-11/h4-10H,3H2,1-2H3
InChIKeyJDFNLHXTTYDMBM-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.89
Rot. Bonds4

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

(4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 177260414) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID177260414
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name(4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1oc2cccc(Cl)c2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H15ClO3/c1-3-14-17(16-13(19)5-4-6-15(16)22-14)18(20)11-7-9-12(21-2)10-8-11/h4-10H,3H2,1-2H3
InChIKeyJDFNLHXTTYDMBM-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

(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260422
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260397
(4-methoxyphenyl)-(4,5,6,7-tetradeuterio-2-ethyl-1-benzofuran-3-yl)methanone
CID 155287233
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
(3-chloro-4-iodophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 103219720
(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
CID 114321295
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine
CID 101116773

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 177260414) is (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is CCc1oc2cccc(Cl)c2c1C(=O)c1ccc(OC)cc1.
What is the InChIKey of (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is JDFNLHXTTYDMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-3-14-17(16-13(19)5-4-6-15(16)22-14)18(20)11-7-9-12(21-2)10-8-11/h4-10H,3H2,1-2H3.
What are the key properties of (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(4-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 (4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 177260414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).