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

C22H16O3 — CID 6613416

IUPAC(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C22H16O3/c1-24-17-13-11-15(12-14-17)21(23)20-18-9-5-6-10-19(18)25-22(20)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyGDBOCNHOGRNDJM-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.34
Rot. Bonds4

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

(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone (PubChem CID 6613416) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
PubChem CID6613416
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C22H16O3/c1-24-17-13-11-15(12-14-17)21(23)20-18-9-5-6-10-19(18)25-22(20)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyGDBOCNHOGRNDJM-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

[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 155547193
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257
[2-[4-[7-[benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]-(4-phenylphenyl)methanone
CID 71455057
[4-[3-(diethylamino)propoxy]phenyl]-[2-(4-propoxyphenyl)-1-benzofuran-3-yl]methanone
CID 21435375
(4-phenylphenyl)-(2-pyridin-2-yl-1-benzofuran-3-yl)methanone
CID 122208629
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone
CID 71769493

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone (CID 6613416) is (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone is COc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone?
The InChIKey is GDBOCNHOGRNDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-24-17-13-11-15(12-14-17)21(23)20-18-9-5-6-10-19(18)25-22(20)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone?
(4-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 (4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 6613416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).