1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one

C10H14O2 — CID 66628308

IUPAC1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one
SMILESCCC(=O)C1C=CC=CC1(C)O
InChIInChI=1S/C10H14O2/c1-3-9(11)8-6-4-5-7-10(8,2)12/h4-8,12H,3H2,1-2H3
InChIKeyILBBNQMSDGAAPF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds2

About 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one

1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one (PubChem CID 66628308) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one
PubChem CID66628308
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one
SMILESCCC(=O)C1C=CC=CC1(C)O
InChIInChI=1S/C10H14O2/c1-3-9(11)8-6-4-5-7-10(8,2)12/h4-8,12H,3H2,1-2H3
InChIKeyILBBNQMSDGAAPF-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one?
The IUPAC name of 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one (CID 66628308) is 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one.
What is the SMILES notation for 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one?
The canonical SMILES for 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one is CCC(=O)C1C=CC=CC1(C)O.
What is the InChIKey of 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one?
The InChIKey is ILBBNQMSDGAAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-9(11)8-6-4-5-7-10(8,2)12/h4-8,12H,3H2,1-2H3.
What are the key properties of 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one?
1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one is sourced from PubChem (CID 66628308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).