1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

C19H31NO — CID 63466063

IUPAC1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1C1CCCCCCC1)CC(C)(C)CC2O
InChIInChI=1S/C19H31NO/c1-14-11-16-17(12-19(2,3)13-18(16)21)20(14)15-9-7-5-4-6-8-10-15/h11,15,18,21H,4-10,12-13H2,1-3H3
InChIKeyAANJQEKTMIRTBP-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.09
Rot. Bonds1

About 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 63466063) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID63466063
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1C1CCCCCCC1)CC(C)(C)CC2O
InChIInChI=1S/C19H31NO/c1-14-11-16-17(12-19(2,3)13-18(16)21)20(14)15-9-7-5-4-6-8-10-15/h11,15,18,21H,4-10,12-13H2,1-3H3
InChIKeyAANJQEKTMIRTBP-UHFFFAOYSA-N
XLogP5.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62359810
4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
CID 106188086
1-cyclooctyl-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466233
1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 115408512
2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
CID 62640256
1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464982
1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465888
2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol
CID 116787763
1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 107370388
2,6,6-trimethyl-1-pent-3-ynyl-5,7-dihydro-4H-indol-4-ol
CID 116645351
2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine
CID 114539933
1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62132538

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (CID 63466063) is 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1C1CCCCCCC1)CC(C)(C)CC2O.
What is the InChIKey of 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is AANJQEKTMIRTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-11-16-17(12-19(2,3)13-18(16)21)20(14)15-9-7-5-4-6-8-10-15/h11,15,18,21H,4-10,12-13H2,1-3H3.
What are the key properties of 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 289.46 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 63466063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).