phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone

C24H20O5 — CID 57336948

IUPACphenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
SMILESCOc1cc(-c2c(C(=O)c3ccccc3)oc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H20O5/c1-26-19-13-16(14-20(27-2)23(19)28-3)21-17-11-7-8-12-18(17)29-24(21)22(25)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyWIXYSHCBYSEQGS-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.36
Rot. Bonds6

About phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone

phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone (PubChem CID 57336948) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
PubChem CID57336948
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Namephenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
SMILESCOc1cc(-c2c(C(=O)c3ccccc3)oc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H20O5/c1-26-19-13-16(14-20(27-2)23(19)28-3)21-17-11-7-8-12-18(17)29-24(21)22(25)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyWIXYSHCBYSEQGS-UHFFFAOYSA-N
XLogP5.36
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
[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
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate
CID 91663330
[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
CID 21435341
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone
CID 3715030
[3-[4-[4-[(E)-N-(1-hydroxyethoxy)-C-methylcarbonimidoyl]phenyl]sulfanylphenyl]-1-benzofuran-2-yl]-phenylmethanone
CID 166894147
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid
CID 11152505

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone?
The IUPAC name of phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone (CID 57336948) is phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone.
What is the SMILES notation for phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone?
The canonical SMILES for phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone is COc1cc(-c2c(C(=O)c3ccccc3)oc3ccccc23)cc(OC)c1OC.
What is the InChIKey of phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone?
The InChIKey is WIXYSHCBYSEQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-26-19-13-16(14-20(27-2)23(19)28-3)21-17-11-7-8-12-18(17)29-24(21)22(25)15-9-5-4-6-10-15/h4-14H,1-3H3.
What are the key properties of phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone?
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone has a molecular weight of 388.42 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 57336948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).