2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one

C20H18O3 — CID 70447712

IUPAC2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one
SMILESC/C=C\c1cccc2c(=O)c(C)c(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C20H18O3/c1-4-6-14-7-5-8-17-18(21)13(2)19(23-20(14)17)15-9-11-16(22-3)12-10-15/h4-12H,1-3H3/b6-4-
InChIKeyNWZYUYYKISIKLM-XQRVVYSFSA-N
MW306.36 g/mol
LogP4.81
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one

2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one (PubChem CID 70447712) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one
PubChem CID70447712
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one
SMILESC/C=C\c1cccc2c(=O)c(C)c(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C20H18O3/c1-4-6-14-7-5-8-17-18(21)13(2)19(23-20(14)17)15-9-11-16(22-3)12-10-15/h4-12H,1-3H3/b6-4-
InChIKeyNWZYUYYKISIKLM-XQRVVYSFSA-N
XLogP4.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one (CID 70447712) is 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one is C/C=C\c1cccc2c(=O)c(C)c(-c3ccc(OC)cc3)oc12.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one?
The InChIKey is NWZYUYYKISIKLM-XQRVVYSFSA-N. The full InChI is InChI=1S/C20H18O3/c1-4-6-14-7-5-8-17-18(21)13(2)19(23-20(14)17)15-9-11-16(22-3)12-10-15/h4-12H,1-3H3/b6-4-.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one?
2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one has a molecular weight of 306.36 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one is sourced from PubChem (CID 70447712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).