6-methyl-2,3,5,6-tetrahydrochromen-4-one

C10H12O2 — CID 123425250

IUPAC6-methyl-2,3,5,6-tetrahydrochromen-4-one
SMILESCC1C=CC2=C(C1)C(=O)CCO2
InChIInChI=1S/C10H12O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,7H,4-6H2,1H3
InChIKeyREYLJDACVGCEKN-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.83
Rot. Bonds

About 6-methyl-2,3,5,6-tetrahydrochromen-4-one

6-methyl-2,3,5,6-tetrahydrochromen-4-one (PubChem CID 123425250) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-methyl-2,3,5,6-tetrahydrochromen-4-one.

Molecular Properties

Compound Name6-methyl-2,3,5,6-tetrahydrochromen-4-one
PubChem CID123425250
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6-methyl-2,3,5,6-tetrahydrochromen-4-one
SMILESCC1C=CC2=C(C1)C(=O)CCO2
InChIInChI=1S/C10H12O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,7H,4-6H2,1H3
InChIKeyREYLJDACVGCEKN-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Butoxyethenyl)-4,4-dimethylcyclohex-2-en-1-one
CID 10727755
2-Methyl-2-(4-methylpent-3-enyl)-2,6,7,8-tetrahydro-chromen-5-one
CID 11637365
7,8-Dihydro-2h-chromen-5(6h)-one
CID 141240290
6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one
CID 139642662
7-Fluoro-2,3,5,6-tetrahydrochromen-4-one
CID 140251076
5-Methoxy-2-methyl-6-(3-oxobut-1-enyl)-4a,5,8,8a-tetrahydrochromen-4-one
CID 91580224
7-hydroxy-6,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,5,6-tetrahydrochromen-4-one
CID 129835674
2,2-dimethyl-5-oxo-7,8-dihydro-6H-chromene-6-carbaldehyde
CID 134970326
7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one
CID 24804631
2-Methyl-2,6,7,8-tetrahydro-chromen-5-one
CID 11557341
6-[(E)-but-1-enyl]-2,3,5-trimethyl-2,3-dihydropyran-4-one
CID 21286950
2,3-Dimethyl-2,6,7,8-tetrahydrochromen-5-one
CID 44556817

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,5,6-tetrahydrochromen-4-one?
The IUPAC name of 6-methyl-2,3,5,6-tetrahydrochromen-4-one (CID 123425250) is 6-methyl-2,3,5,6-tetrahydrochromen-4-one.
What is the SMILES notation for 6-methyl-2,3,5,6-tetrahydrochromen-4-one?
The canonical SMILES for 6-methyl-2,3,5,6-tetrahydrochromen-4-one is CC1C=CC2=C(C1)C(=O)CCO2.
What is the InChIKey of 6-methyl-2,3,5,6-tetrahydrochromen-4-one?
The InChIKey is REYLJDACVGCEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,7H,4-6H2,1H3.
What are the key properties of 6-methyl-2,3,5,6-tetrahydrochromen-4-one?
6-methyl-2,3,5,6-tetrahydrochromen-4-one has a molecular weight of 164.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,5,6-tetrahydrochromen-4-one is sourced from PubChem (CID 123425250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).