(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone

C22H15ClO3 — CID 10713712

IUPAC(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
SMILESCOc1ccc(-c2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1
InChIInChI=1S/C22H15ClO3/c1-25-17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)26-22(20)21(24)15-6-10-16(23)11-7-15/h2-13H,1H3
InChIKeySXRBJFIFHXCSKN-UHFFFAOYSA-N
MW362.81 g/mol
LogP5.99
Rot. Bonds4

About (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone

(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone (PubChem CID 10713712) has the molecular formula C22H15ClO3 and a molecular weight of 362.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
PubChem CID10713712
Molecular FormulaC22H15ClO3
Molecular Weight362.81 g/mol
Exact Mass362.07
IUPAC Name(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
SMILESCOc1ccc(-c2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1
InChIInChI=1S/C22H15ClO3/c1-25-17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)26-22(20)21(24)15-6-10-16(23)11-7-15/h2-13H,1H3
InChIKeySXRBJFIFHXCSKN-UHFFFAOYSA-N
XLogP5.99
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.81
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
CID 21435341
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
CID 57336949
[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
CID 102502970

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone (CID 10713712) is (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone is COc1ccc(-c2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1.
What is the InChIKey of (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone?
The InChIKey is SXRBJFIFHXCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO3/c1-25-17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)26-22(20)21(24)15-6-10-16(23)11-7-15/h2-13H,1H3.
What are the key properties of (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone?
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone has a molecular weight of 362.81 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 10713712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).