6-methyl-2-propan-2-ylchromen-4-one

C13H14O2 — CID 170985483

IUPAC6-methyl-2-propan-2-ylchromen-4-one
SMILESCc1ccc2oc(C(C)C)cc(=O)c2c1
InChIInChI=1S/C13H14O2/c1-8(2)13-7-11(14)10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3
InChIKeyQMSIZCQCVMNWPX-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.22
Rot. Bonds1

About 6-methyl-2-propan-2-ylchromen-4-one

6-methyl-2-propan-2-ylchromen-4-one (PubChem CID 170985483) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-methyl-2-propan-2-ylchromen-4-one.

Molecular Properties

Compound Name6-methyl-2-propan-2-ylchromen-4-one
PubChem CID170985483
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name6-methyl-2-propan-2-ylchromen-4-one
SMILESCc1ccc2oc(C(C)C)cc(=O)c2c1
InChIInChI=1S/C13H14O2/c1-8(2)13-7-11(14)10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3
InChIKeyQMSIZCQCVMNWPX-UHFFFAOYSA-N
XLogP3.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-propan-2-ylchromen-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 6-methyl-2-propan-2-ylchromen-4-one?
The IUPAC name of 6-methyl-2-propan-2-ylchromen-4-one (CID 170985483) is 6-methyl-2-propan-2-ylchromen-4-one.
What is the SMILES notation for 6-methyl-2-propan-2-ylchromen-4-one?
The canonical SMILES for 6-methyl-2-propan-2-ylchromen-4-one is Cc1ccc2oc(C(C)C)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-propan-2-ylchromen-4-one?
The InChIKey is QMSIZCQCVMNWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-8(2)13-7-11(14)10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-ylchromen-4-one?
6-methyl-2-propan-2-ylchromen-4-one has a molecular weight of 202.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-ylchromen-4-one is sourced from PubChem (CID 170985483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).