3-methylidenechromen-4-one

C10H8O2 — CID 11805055

IUPAC3-methylidenechromen-4-one
SMILESC=C1COc2ccccc2C1=O
InChIInChI=1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5H,1,6H2
InChIKeyGPZSMCFSXYVSAL-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.82
Rot. Bonds

About 3-methylidenechromen-4-one

3-methylidenechromen-4-one (PubChem CID 11805055) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-methylidenechromen-4-one.

Molecular Properties

Compound Name3-methylidenechromen-4-one
PubChem CID11805055
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name3-methylidenechromen-4-one
SMILESC=C1COc2ccccc2C1=O
InChIInChI=1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5H,1,6H2
InChIKeyGPZSMCFSXYVSAL-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-methylidenechromen-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 3-methylidenechromen-4-one?
The IUPAC name of 3-methylidenechromen-4-one (CID 11805055) is 3-methylidenechromen-4-one.
What is the SMILES notation for 3-methylidenechromen-4-one?
The canonical SMILES for 3-methylidenechromen-4-one is C=C1COc2ccccc2C1=O.
What is the InChIKey of 3-methylidenechromen-4-one?
The InChIKey is GPZSMCFSXYVSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5H,1,6H2.
What are the key properties of 3-methylidenechromen-4-one?
3-methylidenechromen-4-one has a molecular weight of 160.17 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenechromen-4-one is sourced from PubChem (CID 11805055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).