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

C22H15ClO3 — CID 21435398

IUPAC(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccc(Cl)cc23)cc1
InChIInChI=1S/C22H15ClO3/c1-25-17-10-7-14(8-11-17)21(24)20-18-13-16(23)9-12-19(18)26-22(20)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyZBEOERKLDHKFHH-UHFFFAOYSA-N
MW362.81 g/mol
LogP5.99
Rot. Bonds4

About (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 21435398) has the molecular formula C22H15ClO3 and a molecular weight of 362.81 g/mol. Its IUPAC name is (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID21435398
Molecular FormulaC22H15ClO3
Molecular Weight362.81 g/mol
Exact Mass362.07
IUPAC Name(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccc(Cl)cc23)cc1
InChIInChI=1S/C22H15ClO3/c1-25-17-10-7-14(8-11-17)21(24)20-18-13-16(23)9-12-19(18)26-22(20)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyZBEOERKLDHKFHH-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

(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 155547193
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 877207
[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 21000490
[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
CID 6126130
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260397
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 21435398) is (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(-c3ccccc3)oc3ccc(Cl)cc23)cc1.
What is the InChIKey of (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is ZBEOERKLDHKFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO3/c1-25-17-10-7-14(8-11-17)21(24)20-18-13-16(23)9-12-19(18)26-22(20)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)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 (5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 21435398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).