2-hydroxy-2,3,4,5-tetrahydroinden-1-one

C9H10O2 — CID 141127926

IUPAC2-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1C2=C(CCC=C2)CC1O
InChIInChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h2,4,8,10H,1,3,5H2
InChIKeyIPTIMJIWFRUHQG-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.97
Rot. Bonds

About 2-hydroxy-2,3,4,5-tetrahydroinden-1-one

2-hydroxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141127926) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydroxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name2-hydroxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID141127926
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1C2=C(CCC=C2)CC1O
InChIInChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h2,4,8,10H,1,3,5H2
InChIKeyIPTIMJIWFRUHQG-UHFFFAOYSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-2,3,4,5-tetrahydroinden-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

7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one
CID 101699843
(2S)-1-(cyclohexen-1-yl)-2-hydroxypropan-1-one
CID 9793876
1-(1-Cyclohexenyl)-2-hydroxyethanone
CID 12431602
1-(Cyclohexen-1-yl)-2-hydroxypropan-1-one
CID 85039917
5,6-Dihydro-o-hydroxyacetophenone
CID 129803514
1-(2,3-Dihydronaphthalen-1-yl)-2-hydroxyethanone
CID 134884399
(6S)-6-hydroxy-7-methyl-1,4,5,6-tetrahydroinden-2-one
CID 145994557
(2R)-1-(cyclohexen-1-yl)-2-hydroxypropan-1-one
CID 101850940
2-Hydroxy-5-indanone
CID 21184679
8-Hydroxycyclooct-2-en-1-one
CID 57012660
2-(8-Hydroxy-7-oxooct-1-enyl)cyclopent-2-en-1-one
CID 57065847
2-hydroxy-3,5-dihydro-2H-naphthalen-1-one
CID 57157710

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 2-hydroxy-2,3,4,5-tetrahydroinden-1-one (CID 141127926) is 2-hydroxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 2-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 2-hydroxy-2,3,4,5-tetrahydroinden-1-one is O=C1C2=C(CCC=C2)CC1O.
What is the InChIKey of 2-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is IPTIMJIWFRUHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h2,4,8,10H,1,3,5H2.
What are the key properties of 2-hydroxy-2,3,4,5-tetrahydroinden-1-one?
2-hydroxy-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 150.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141127926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).