(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone

C22H16O3 — CID 21435338

IUPAC(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
SMILESCOc1cccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)c1
InChIInChI=1S/C22H16O3/c1-24-17-11-7-10-16(14-17)21(23)20-18-12-5-6-13-19(18)25-22(20)15-8-3-2-4-9-15/h2-14H,1H3
InChIKeyVBWJESRZAYFMQI-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.34
Rot. Bonds4

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

(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone (PubChem CID 21435338) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
PubChem CID21435338
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
SMILESCOc1cccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)c1
InChIInChI=1S/C22H16O3/c1-24-17-11-7-10-16(14-17)21(23)20-18-12-5-6-13-19(18)25-22(20)15-8-3-2-4-9-15/h2-14H,1H3
InChIKeyVBWJESRZAYFMQI-UHFFFAOYSA-N
XLogP5.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.34
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
[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
3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
CID 135057387
[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 155547193
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
CID 6125391
[2-[4-[7-[benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]-[3-[2-(diethylamino)ethoxy]phenyl]methanone
CID 71458715
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257
(3-methoxyphenyl)-[5-(3-methoxyphenyl)-12-methylchrysen-6-yl]methanone
CID 102338879

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone (CID 21435338) is (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone is COc1cccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone?
The InChIKey is VBWJESRZAYFMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-24-17-11-7-10-16(14-17)21(23)20-18-12-5-6-13-19(18)25-22(20)15-8-3-2-4-9-15/h2-14H,1H3.
What are the key properties of (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone?
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone has a molecular weight of 328.37 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 21435338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).