6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol

C17H26O — CID 64515618

IUPAC6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
SMILESCC(C)(C)C(O)CCCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H26O/c1-17(2,3)16(18)9-4-6-13-10-11-14-7-5-8-15(14)12-13/h10-12,16,18H,4-9H2,1-3H3
InChIKeyWGFVGJQPOJGCHO-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.90
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol

6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol (PubChem CID 64515618) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
PubChem CID64515618
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
SMILESCC(C)(C)C(O)CCCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H26O/c1-17(2,3)16(18)9-4-6-13-10-11-14-7-5-8-15(14)12-13/h10-12,16,18H,4-9H2,1-3H3
InChIKeyWGFVGJQPOJGCHO-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-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

N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
CID 64663973
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene
CID 64507895
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
CID 83931756
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
CID 105493498
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol (CID 64515618) is 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol is CC(C)(C)C(O)CCCc1ccc2c(c1)CCC2.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol?
The InChIKey is WGFVGJQPOJGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-17(2,3)16(18)9-4-6-13-10-11-14-7-5-8-15(14)12-13/h10-12,16,18H,4-9H2,1-3H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol?
6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol has a molecular weight of 246.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol is sourced from PubChem (CID 64515618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).