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

C15H20O2 — CID 13229900

IUPAC6-methyl-4-pentyl-3,4-dihydrochromen-2-one
SMILESCCCCCC1CC(=O)Oc2ccc(C)cc21
InChIInChI=1S/C15H20O2/c1-3-4-5-6-12-10-15(16)17-14-8-7-11(2)9-13(12)14/h7-9,12H,3-6,10H2,1-2H3
InChIKeyLPMOSORMIKRBAV-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.97
Rot. Bonds4

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

6-methyl-4-pentyl-3,4-dihydrochromen-2-one (PubChem CID 13229900) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 6-methyl-4-pentyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-methyl-4-pentyl-3,4-dihydrochromen-2-one
PubChem CID13229900
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name6-methyl-4-pentyl-3,4-dihydrochromen-2-one
SMILESCCCCCC1CC(=O)Oc2ccc(C)cc21
InChIInChI=1S/C15H20O2/c1-3-4-5-6-12-10-15(16)17-14-8-7-11(2)9-13(12)14/h7-9,12H,3-6,10H2,1-2H3
InChIKeyLPMOSORMIKRBAV-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pentyl-3,4-dihydrochromen-2-one?
The IUPAC name of 6-methyl-4-pentyl-3,4-dihydrochromen-2-one (CID 13229900) is 6-methyl-4-pentyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-methyl-4-pentyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-methyl-4-pentyl-3,4-dihydrochromen-2-one is CCCCCC1CC(=O)Oc2ccc(C)cc21.
What is the InChIKey of 6-methyl-4-pentyl-3,4-dihydrochromen-2-one?
The InChIKey is LPMOSORMIKRBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-4-5-6-12-10-15(16)17-14-8-7-11(2)9-13(12)14/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 6-methyl-4-pentyl-3,4-dihydrochromen-2-one?
6-methyl-4-pentyl-3,4-dihydrochromen-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pentyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 13229900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).