4-methyl-8-propan-2-ylchromen-2-one

C13H14O2 — CID 71446036

IUPAC4-methyl-8-propan-2-ylchromen-2-one
SMILESCc1cc(=O)oc2c(C(C)C)cccc12
InChIInChI=1S/C13H14O2/c1-8(2)10-5-4-6-11-9(3)7-12(14)15-13(10)11/h4-8H,1-3H3
InChIKeyOLLFKOMMNNNMHI-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.22
Rot. Bonds1

About 4-methyl-8-propan-2-ylchromen-2-one

4-methyl-8-propan-2-ylchromen-2-one (PubChem CID 71446036) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-methyl-8-propan-2-ylchromen-2-one.

Molecular Properties

Compound Name4-methyl-8-propan-2-ylchromen-2-one
PubChem CID71446036
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-methyl-8-propan-2-ylchromen-2-one
SMILESCc1cc(=O)oc2c(C(C)C)cccc12
InChIInChI=1S/C13H14O2/c1-8(2)10-5-4-6-11-9(3)7-12(14)15-13(10)11/h4-8H,1-3H3
InChIKeyOLLFKOMMNNNMHI-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-propan-2-ylchromen-2-one?
The IUPAC name of 4-methyl-8-propan-2-ylchromen-2-one (CID 71446036) is 4-methyl-8-propan-2-ylchromen-2-one.
What is the SMILES notation for 4-methyl-8-propan-2-ylchromen-2-one?
The canonical SMILES for 4-methyl-8-propan-2-ylchromen-2-one is Cc1cc(=O)oc2c(C(C)C)cccc12.
What is the InChIKey of 4-methyl-8-propan-2-ylchromen-2-one?
The InChIKey is OLLFKOMMNNNMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-8(2)10-5-4-6-11-9(3)7-12(14)15-13(10)11/h4-8H,1-3H3.
What are the key properties of 4-methyl-8-propan-2-ylchromen-2-one?
4-methyl-8-propan-2-ylchromen-2-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 4-methyl-8-propan-2-ylchromen-2-one is sourced from PubChem (CID 71446036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).