7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one

C11H12O2 — CID 11148035

IUPAC7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one
SMILESCc1ccc(O)c2c1C(C)CC2=O
InChIInChI=1S/C11H12O2/c1-6-3-4-8(12)11-9(13)5-7(2)10(6)11/h3-4,7,12H,5H2,1-2H3
InChIKeyDRHXUYFRRQUTNN-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.39
Rot. Bonds

About 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one

7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one (PubChem CID 11148035) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one
PubChem CID11148035
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one
SMILESCc1ccc(O)c2c1C(C)CC2=O
InChIInChI=1S/C11H12O2/c1-6-3-4-8(12)11-9(13)5-7(2)10(6)11/h3-4,7,12H,5H2,1-2H3
InChIKeyDRHXUYFRRQUTNN-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-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 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one (CID 11148035) is 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one is Cc1ccc(O)c2c1C(C)CC2=O.
What is the InChIKey of 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is DRHXUYFRRQUTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-6-3-4-8(12)11-9(13)5-7(2)10(6)11/h3-4,7,12H,5H2,1-2H3.
What are the key properties of 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one?
7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 176.22 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,4-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 11148035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).