2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one

C11H14O2 — CID 44556817

IUPAC2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one
SMILESCC1=CC2=C(CCCC2=O)OC1C
InChIInChI=1S/C11H14O2/c1-7-6-9-10(12)4-3-5-11(9)13-8(7)2/h6,8H,3-5H2,1-2H3
InChIKeyLQJJZECNTSDMIK-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.36
Rot. Bonds

About 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one

2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one (PubChem CID 44556817) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Name2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one
PubChem CID44556817
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one
SMILESCC1=CC2=C(CCCC2=O)OC1C
InChIInChI=1S/C11H14O2/c1-7-6-9-10(12)4-3-5-11(9)13-8(7)2/h6,8H,3-5H2,1-2H3
InChIKeyLQJJZECNTSDMIK-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-Dihydro-4-methyl-2h-1-benzopyran-2,5(6h)-dione
CID 12333358
2,2-Dimethyl-2,6,7,8-tetrahydro-5H-1-benzopyran-5-one
CID 11622435
2-Methyl-2-(4-methylpent-3-enyl)-2,6,7,8-tetrahydro-chromen-5-one
CID 11637365
Chroman-5,6-quinone
CID 23084389
7,8-Dihydro-2h-chromen-5(6h)-one
CID 141240290
8-fluoro-6-methoxy-4,6,7,8-tetrahydro-3H-naphthalen-2-one
CID 68458245
7-Fluoro-2,3,5,6-tetrahydrochromen-4-one
CID 140251076
3-(1-Ethoxyvinyl)-2-cyclohexen-1-one
CID 11041079
3-(1-Butoxyethenyl)cyclohex-2-en-1-one
CID 14296317
3-(Methoxymethyl)-4-methylidenecyclohex-2-en-1-one
CID 101584362
3-(3-Methylbut-2-enoxy)cyclohex-2-en-1-one
CID 102168115
Methylchroman-5,6-dione
CID 129712204

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one (CID 44556817) is 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one is CC1=CC2=C(CCCC2=O)OC1C.
What is the InChIKey of 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one?
The InChIKey is LQJJZECNTSDMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-6-9-10(12)4-3-5-11(9)13-8(7)2/h6,8H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one?
2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one has a molecular weight of 178.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 44556817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).