7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one

C15H16O3 — CID 10228

IUPAC7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1CC=C(C)C
InChIInChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKeyMBRLOUHOWLUMFF-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.31
Rot. Bonds3

About 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one

7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one (PubChem CID 10228) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
PubChem CID10228
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1CC=C(C)C
InChIInChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKeyMBRLOUHOWLUMFF-UHFFFAOYSA-N
XLogP3.31
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-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 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one?
The IUPAC name of 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one (CID 10228) is 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one.
What is the SMILES notation for 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one?
The canonical SMILES for 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one is COc1ccc2ccc(=O)oc2c1CC=C(C)C.
What is the InChIKey of 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one?
The InChIKey is MBRLOUHOWLUMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one?
7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one has a molecular weight of 244.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one is sourced from PubChem (CID 10228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).