2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one

C10H12O2 — CID 141393211

IUPAC2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one
SMILESCC1(O)CC2=C(C=CCC2)C1=O
InChIInChI=1S/C10H12O2/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h3,5,12H,2,4,6H2,1H3
InChIKeyUGURHVZXDWSVPG-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.36
Rot. Bonds

About 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one

2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one (PubChem CID 141393211) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one
PubChem CID141393211
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one
SMILESCC1(O)CC2=C(C=CCC2)C1=O
InChIInChI=1S/C10H12O2/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h3,5,12H,2,4,6H2,1H3
InChIKeyUGURHVZXDWSVPG-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-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

Related Compounds

(+)-euroticin I
CID 170990415
(-)-euroticin I
CID 170990416
7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one
CID 101699843
(2E)-1-(1-hydroxycyclohexyl)-2-buten-1-one
CID 12596917
(3R,4aS,5R)-3-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4,4a,5,6-tetrahydronaphthalen-2-one
CID 90980947
3-Hydroxybisabola-1(6)-dien-2-one A
CID 91749471
3-Butyl-5-ethenyl-5-hydroxycyclopent-2-en-1-one
CID 14643738
(5'R)-5'-hydroxy-2',3',5',7'-tetramethylspiro[cyclopropane-1,6'-indene]-4'-one
CID 10489648
5'-Hydroxy-5',7'-dimethylspiro[cyclobutane-1,6'-indene]-4'-one
CID 11148637
5'-Hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one
CID 59656577
2-Hydroxy-1-[4-(3-hydroxypropyl)cyclohexa-1,3-dien-1-yl]-2-methylpropan-1-one
CID 59702671
2-hydroxy-2-methyl-3,6,7,7a-tetrahydro-1H-inden-5-one
CID 68122353

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one?
The IUPAC name of 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one (CID 141393211) is 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one is CC1(O)CC2=C(C=CCC2)C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one?
The InChIKey is UGURHVZXDWSVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h3,5,12H,2,4,6H2,1H3.
What are the key properties of 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one?
2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one is sourced from PubChem (CID 141393211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).