7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile

C18H13NO4 — CID 71378369

IUPAC7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
SMILESCOc1ccc(-c2oc3cc(OC)ccc3c(=O)c2C#N)cc1
InChIInChI=1S/C18H13NO4/c1-21-12-5-3-11(4-6-12)18-15(10-19)17(20)14-8-7-13(22-2)9-16(14)23-18/h3-9H,1-2H3
InChIKeyFHQXBDUINMIKRR-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.35
Rot. Bonds3

About 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile

7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile (PubChem CID 71378369) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
PubChem CID71378369
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
SMILESCOc1ccc(-c2oc3cc(OC)ccc3c(=O)c2C#N)cc1
InChIInChI=1S/C18H13NO4/c1-21-12-5-3-11(4-6-12)18-15(10-19)17(20)14-8-7-13(22-2)9-16(14)23-18/h3-9H,1-2H3
InChIKeyFHQXBDUINMIKRR-UHFFFAOYSA-N
XLogP3.35
TPSA72.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile 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

2,4-diiodo-6-methoxy-3-oxoxanthene-9-carbonitrile
CID 86184565
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 50943995
3-(4-bromobutoxy)-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171061266
7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
CID 139992853
2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
CID 134911345
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
4-[3-[2-[2-(4-cyanophenyl)-6-methoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-6-methoxy-1-benzofuran-2-yl]benzonitrile
CID 89484085
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10619458
ethyl (E)-3-[7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl]prop-2-enoate
CID 102440774

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile?
The IUPAC name of 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile (CID 71378369) is 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile.
What is the SMILES notation for 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile?
The canonical SMILES for 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile is COc1ccc(-c2oc3cc(OC)ccc3c(=O)c2C#N)cc1.
What is the InChIKey of 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile?
The InChIKey is FHQXBDUINMIKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-21-12-5-3-11(4-6-12)18-15(10-19)17(20)14-8-7-13(22-2)9-16(14)23-18/h3-9H,1-2H3.
What are the key properties of 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile?
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile has a molecular weight of 307.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile is sourced from PubChem (CID 71378369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).