(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone

C17H15NO4 — CID 3715030

IUPAC(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone
SMILESCOc1cc(OC)c2c(N)c(C(=O)c3ccccc3)oc2c1
InChIInChI=1S/C17H15NO4/c1-20-11-8-12(21-2)14-13(9-11)22-17(15(14)18)16(19)10-6-4-3-5-7-10/h3-9H,18H2,1-2H3
InChIKeyRNELHRFLSQLWBH-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.26
Rot. Bonds4

About (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone

(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone (PubChem CID 3715030) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone
PubChem CID3715030
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone
SMILESCOc1cc(OC)c2c(N)c(C(=O)c3ccccc3)oc2c1
InChIInChI=1S/C17H15NO4/c1-20-11-8-12(21-2)14-13(9-11)22-17(15(14)18)16(19)10-6-4-3-5-7-10/h3-9H,18H2,1-2H3
InChIKeyRNELHRFLSQLWBH-UHFFFAOYSA-N
XLogP3.26
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395
5,7-dimethoxy-2-phenylchromene-4-thione
CID 56984400
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906521
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
CID 22906454
methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate
CID 134238319
benzyl 5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carboxylate
CID 134911539
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
[3-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]-1-benzofuran-2-yl]-phenylmethanone
CID 40512828

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone (CID 3715030) is (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone is COc1cc(OC)c2c(N)c(C(=O)c3ccccc3)oc2c1.
What is the InChIKey of (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone?
The InChIKey is RNELHRFLSQLWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-11-8-12(21-2)14-13(9-11)22-17(15(14)18)16(19)10-6-4-3-5-7-10/h3-9H,18H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone?
(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone has a molecular weight of 297.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone is sourced from PubChem (CID 3715030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).