6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol

C17H24O2 — CID 79846941

IUPAC6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(Oc2ccc3c(c2)CCC3)C1O
InChIInChI=1S/C17H24O2/c1-17(2)10-4-7-15(16(17)18)19-14-9-8-12-5-3-6-13(12)11-14/h8-9,11,15-16,18H,3-7,10H2,1-2H3
InChIKeyXNRWPMXFFCNHHG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.49
Rot. Bonds2

About 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol

6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol (PubChem CID 79846941) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol
PubChem CID79846941
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(Oc2ccc3c(c2)CCC3)C1O
InChIInChI=1S/C17H24O2/c1-17(2)10-4-7-15(16(17)18)19-14-9-8-12-5-3-6-13(12)11-14/h8-9,11,15-16,18H,3-7,10H2,1-2H3
InChIKeyXNRWPMXFFCNHHG-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol (CID 79846941) is 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCC(Oc2ccc3c(c2)CCC3)C1O.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is XNRWPMXFFCNHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-17(2)10-4-7-15(16(17)18)19-14-9-8-12-5-3-6-13(12)11-14/h8-9,11,15-16,18H,3-7,10H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol?
6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79846941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).