6-methyl-3-propyl-2,3-dihydrochromen-4-one

C13H16O2 — CID 145003242

IUPAC6-methyl-3-propyl-2,3-dihydrochromen-4-one
SMILESCCCC1COc2ccc(C)cc2C1=O
InChIInChI=1S/C13H16O2/c1-3-4-10-8-15-12-6-5-9(2)7-11(12)13(10)14/h5-7,10H,3-4,8H2,1-2H3
InChIKeyMADJVGMRZDDIBG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.99
Rot. Bonds2

About 6-methyl-3-propyl-2,3-dihydrochromen-4-one

6-methyl-3-propyl-2,3-dihydrochromen-4-one (PubChem CID 145003242) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-methyl-3-propyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-methyl-3-propyl-2,3-dihydrochromen-4-one
PubChem CID145003242
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name6-methyl-3-propyl-2,3-dihydrochromen-4-one
SMILESCCCC1COc2ccc(C)cc2C1=O
InChIInChI=1S/C13H16O2/c1-3-4-10-8-15-12-6-5-9(2)7-11(12)13(10)14/h5-7,10H,3-4,8H2,1-2H3
InChIKeyMADJVGMRZDDIBG-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-methyl-3-propyl-2,3-dihydrochromen-4-one (CID 145003242) is 6-methyl-3-propyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-methyl-3-propyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-methyl-3-propyl-2,3-dihydrochromen-4-one is CCCC1COc2ccc(C)cc2C1=O.
What is the InChIKey of 6-methyl-3-propyl-2,3-dihydrochromen-4-one?
The InChIKey is MADJVGMRZDDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-4-10-8-15-12-6-5-9(2)7-11(12)13(10)14/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of 6-methyl-3-propyl-2,3-dihydrochromen-4-one?
6-methyl-3-propyl-2,3-dihydrochromen-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 145003242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).