ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate

C25H26O4 — CID 57242658

IUPACethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate
SMILESCCCc1c(C2CC2c2cccc(C)c2)oc2ccc(C(=O)OCC)cc2c1=O
InChIInChI=1S/C25H26O4/c1-4-7-18-23(26)21-13-17(25(27)28-5-2)10-11-22(21)29-24(18)20-14-19(20)16-9-6-8-15(3)12-16/h6,8-13,19-20H,4-5,7,14H2,1-3H3
InChIKeyIRHPUGQSHYJKPX-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.50
Rot. Bonds6

About ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate

ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate (PubChem CID 57242658) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate
PubChem CID57242658
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Nameethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate
SMILESCCCc1c(C2CC2c2cccc(C)c2)oc2ccc(C(=O)OCC)cc2c1=O
InChIInChI=1S/C25H26O4/c1-4-7-18-23(26)21-13-17(25(27)28-5-2)10-11-22(21)29-24(18)20-14-19(20)16-9-6-8-15(3)12-16/h6,8-13,19-20H,4-5,7,14H2,1-3H3
InChIKeyIRHPUGQSHYJKPX-UHFFFAOYSA-N
XLogP5.50
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate 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

Ipriflavone
CID 3747
5,7-Dimethoxyflavone
CID 88881
Efloxate
CID 8395
5,7,4'-Trimethoxyflavone
CID 79730
4'-Methoxyflavone
CID 77793
Osajin
CID 95168
Glabrone
CID 5317652
6-Isopropoxy-9-oxoxanthene-2-carboxylic acid
CID 119461
7-Methoxy-2-methylisoflavone
CID 354368
7-(Acetyloxy)-2-methyl-3-phenyl-4H-1-benzopyran-4-one
CID 268208
5,7-Dimethoxyisoflavone
CID 6710704
Isopongaflavone
CID 10958572

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate?
The IUPAC name of ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate (CID 57242658) is ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate.
What is the SMILES notation for ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate?
The canonical SMILES for ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate is CCCc1c(C2CC2c2cccc(C)c2)oc2ccc(C(=O)OCC)cc2c1=O.
What is the InChIKey of ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate?
The InChIKey is IRHPUGQSHYJKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-4-7-18-23(26)21-13-17(25(27)28-5-2)10-11-22(21)29-24(18)20-14-19(20)16-9-6-8-15(3)12-16/h6,8-13,19-20H,4-5,7,14H2,1-3H3.
What are the key properties of ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate?
ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate is sourced from PubChem (CID 57242658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).