6-(2-methylpropyl)-4H-chromen-3-one

C13H16O2 — CID 159015525

IUPAC6-(2-methylpropyl)-4H-chromen-3-one
SMILESCC(C)Cc1ccc2c(c1)CC(=O)CO2
InChIInChI=1S/C13H16O2/c1-9(2)5-10-3-4-13-11(6-10)7-12(14)8-15-13/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyPLAHGFHKZQIZJW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.39
Rot. Bonds2

About 6-(2-methylpropyl)-4H-chromen-3-one

6-(2-methylpropyl)-4H-chromen-3-one (PubChem CID 159015525) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4H-chromen-3-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4H-chromen-3-one
PubChem CID159015525
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name6-(2-methylpropyl)-4H-chromen-3-one
SMILESCC(C)Cc1ccc2c(c1)CC(=O)CO2
InChIInChI=1S/C13H16O2/c1-9(2)5-10-3-4-13-11(6-10)7-12(14)8-15-13/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyPLAHGFHKZQIZJW-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4H-chromen-3-one?
The IUPAC name of 6-(2-methylpropyl)-4H-chromen-3-one (CID 159015525) is 6-(2-methylpropyl)-4H-chromen-3-one.
What is the SMILES notation for 6-(2-methylpropyl)-4H-chromen-3-one?
The canonical SMILES for 6-(2-methylpropyl)-4H-chromen-3-one is CC(C)Cc1ccc2c(c1)CC(=O)CO2.
What is the InChIKey of 6-(2-methylpropyl)-4H-chromen-3-one?
The InChIKey is PLAHGFHKZQIZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(2)5-10-3-4-13-11(6-10)7-12(14)8-15-13/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-4H-chromen-3-one?
6-(2-methylpropyl)-4H-chromen-3-one has a molecular weight of 204.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4H-chromen-3-one is sourced from PubChem (CID 159015525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).