8a-methyl-3,4a-dihydro-2H-chromen-4-one

C10H12O2 — CID 163567910

IUPAC8a-methyl-3,4a-dihydro-2H-chromen-4-one
SMILESCC12C=CC=CC1C(=O)CCO2
InChIInChI=1S/C10H12O2/c1-10-6-3-2-4-8(10)9(11)5-7-12-10/h2-4,6,8H,5,7H2,1H3
InChIKeyFWUJXTODKNFSCY-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.48
Rot. Bonds

About 8a-methyl-3,4a-dihydro-2H-chromen-4-one

8a-methyl-3,4a-dihydro-2H-chromen-4-one (PubChem CID 163567910) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 8a-methyl-3,4a-dihydro-2H-chromen-4-one.

Molecular Properties

Compound Name8a-methyl-3,4a-dihydro-2H-chromen-4-one
PubChem CID163567910
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name8a-methyl-3,4a-dihydro-2H-chromen-4-one
SMILESCC12C=CC=CC1C(=O)CCO2
InChIInChI=1S/C10H12O2/c1-10-6-3-2-4-8(10)9(11)5-7-12-10/h2-4,6,8H,5,7H2,1H3
InChIKeyFWUJXTODKNFSCY-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-3,4a-dihydro-2H-chromen-4-one?
The IUPAC name of 8a-methyl-3,4a-dihydro-2H-chromen-4-one (CID 163567910) is 8a-methyl-3,4a-dihydro-2H-chromen-4-one.
What is the SMILES notation for 8a-methyl-3,4a-dihydro-2H-chromen-4-one?
The canonical SMILES for 8a-methyl-3,4a-dihydro-2H-chromen-4-one is CC12C=CC=CC1C(=O)CCO2.
What is the InChIKey of 8a-methyl-3,4a-dihydro-2H-chromen-4-one?
The InChIKey is FWUJXTODKNFSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10-6-3-2-4-8(10)9(11)5-7-12-10/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 8a-methyl-3,4a-dihydro-2H-chromen-4-one?
8a-methyl-3,4a-dihydro-2H-chromen-4-one has a molecular weight of 164.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-3,4a-dihydro-2H-chromen-4-one is sourced from PubChem (CID 163567910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).