(1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol

C18H26O2 — CID 71600585

IUPAC(1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)=C[C@H]1c2c(C)ccc(C)c2[C@@H](O)[C@@H]1C(C)(C)O
InChIInChI=1S/C18H26O2/c1-10(2)9-13-14-11(3)7-8-12(4)15(14)17(19)16(13)18(5,6)20/h7-9,13,16-17,19-20H,1-6H3/t13-,16+,17+/m0/s1
InChIKeyJAAABDADPJRGCF-IAOVAPTHSA-N
MW274.40 g/mol
LogP3.79
Rot. Bonds2

About (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol

(1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 71600585) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID71600585
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)=C[C@H]1c2c(C)ccc(C)c2[C@@H](O)[C@@H]1C(C)(C)O
InChIInChI=1S/C18H26O2/c1-10(2)9-13-14-11(3)7-8-12(4)15(14)17(19)16(13)18(5,6)20/h7-9,13,16-17,19-20H,1-6H3/t13-,16+,17+/m0/s1
InChIKeyJAAABDADPJRGCF-IAOVAPTHSA-N
XLogP3.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol 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

Fluoren-9-ol
CID 74318
1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
(2,3-dihydro-1H-inden-5-yl)methanol
CID 330183
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
1-(2,4-Dimethylphenyl)ethanol
CID 21475
1H-Indene-5-ethanol, 2,3-dihydro-beta,1,1,2,3,3-hexamethyl-
CID 102580
11-Hydroxydehydrobotrydienol
CID 10658336
Dehydrobotrydienol
CID 10728408
1,2-Dihydro-3-methylbenz(j)aceanthrylen-1-ol
CID 18759
Alcyopterosins O
CID 10847307
1-(2,4,6-Trimethylphenyl)ethan-1-ol
CID 5260174

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol (CID 71600585) is (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol is CC(C)=C[C@H]1c2c(C)ccc(C)c2[C@@H](O)[C@@H]1C(C)(C)O.
What is the InChIKey of (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is JAAABDADPJRGCF-IAOVAPTHSA-N. The full InChI is InChI=1S/C18H26O2/c1-10(2)9-13-14-11(3)7-8-12(4)15(14)17(19)16(13)18(5,6)20/h7-9,13,16-17,19-20H,1-6H3/t13-,16+,17+/m0/s1.
What are the key properties of (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol?
(1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 274.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2-(2-hydroxypropan-2-yl)-4,7-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 71600585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).