2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one

C10H14O3 — CID 130126784

IUPAC2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one
SMILESCC12C(=O)C(O)CC1CC=CC2O
InChIInChI=1S/C10H14O3/c1-10-6(3-2-4-8(10)12)5-7(11)9(10)13/h2,4,6-8,11-12H,3,5H2,1H3
InChIKeyHONRVAVEXCBUTO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.26
Rot. Bonds

About 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one

2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one (PubChem CID 130126784) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one.

Molecular Properties

Compound Name2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one
PubChem CID130126784
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one
SMILESCC12C(=O)C(O)CC1CC=CC2O
InChIInChI=1S/C10H14O3/c1-10-6(3-2-4-8(10)12)5-7(11)9(10)13/h2,4,6-8,11-12H,3,5H2,1H3
InChIKeyHONRVAVEXCBUTO-UHFFFAOYSA-N
XLogP0.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-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

(1R,3R,5R)-3-hydroxy-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 51346405
(16R)-16-hydroxy-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 59742804
(4aS)-2,8,8a-trimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 101159660
(7R)-7-bromo-2,2,3-trimethylcyclohept-4-en-1-one
CID 101146474
7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 134919860
(4aR,8S,8aS)-2-methoxy-8,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 15783867
3a-methyl-3,4,7,7a-tetrahydro-2-benzofuran-1-one
CID 13094712
(3aS,7aR)-3a-methyl-3,4,7,7a-tetrahydro-2-benzofuran-1-one
CID 13094714
(3S,8S,9S,10R,13S,14R,16R)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 162918626
8-methoxy-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 15849263
(1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol
CID 165343412
6,6-dimethylcyclohex-2-en-1-ol
CID 550886

Frequently Asked Questions

What is the IUPAC name of 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one?
The IUPAC name of 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one (CID 130126784) is 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one.
What is the SMILES notation for 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one?
The canonical SMILES for 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one is CC12C(=O)C(O)CC1CC=CC2O.
What is the InChIKey of 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one?
The InChIKey is HONRVAVEXCBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-10-6(3-2-4-8(10)12)5-7(11)9(10)13/h2,4,6-8,11-12H,3,5H2,1H3.
What are the key properties of 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one?
2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one has a molecular weight of 182.22 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydroxy-7a-methyl-3,3a,4,7-tetrahydro-2H-inden-1-one is sourced from PubChem (CID 130126784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).