6-methylchromen-4-one

C10H8O2 — CID 594810

IUPAC6-methylchromen-4-one
SMILESCc1ccc2occc(=O)c2c1
InChIInChI=1S/C10H8O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKeyHTXQVFXXVXOLCF-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.10
Rot. Bonds

About 6-methylchromen-4-one

6-methylchromen-4-one (PubChem CID 594810) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-methylchromen-4-one.

Molecular Properties

Compound Name6-methylchromen-4-one
PubChem CID594810
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name6-methylchromen-4-one
SMILESCc1ccc2occc(=O)c2c1
InChIInChI=1S/C10H8O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKeyHTXQVFXXVXOLCF-UHFFFAOYSA-N
XLogP2.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylchromen-4-one?
The IUPAC name of 6-methylchromen-4-one (CID 594810) is 6-methylchromen-4-one.
What is the SMILES notation for 6-methylchromen-4-one?
The canonical SMILES for 6-methylchromen-4-one is Cc1ccc2occc(=O)c2c1.
What is the InChIKey of 6-methylchromen-4-one?
The InChIKey is HTXQVFXXVXOLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3.
What are the key properties of 6-methylchromen-4-one?
6-methylchromen-4-one has a molecular weight of 160.17 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylchromen-4-one is sourced from PubChem (CID 594810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).