1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

C19H33NO — CID 107817926

IUPAC1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCCCCC(CC)Cn1c(C)cc2c1CC(C)(C)CC2O
InChIInChI=1S/C19H33NO/c1-6-8-9-15(7-2)13-20-14(3)10-16-17(20)11-19(4,5)12-18(16)21/h10,15,18,21H,6-9,11-13H2,1-5H3
InChIKeyRRIWIFLGMRAICA-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.02
Rot. Bonds6

About 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 107817926) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID107817926
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCCCCC(CC)Cn1c(C)cc2c1CC(C)(C)CC2O
InChIInChI=1S/C19H33NO/c1-6-8-9-15(7-2)13-20-14(3)10-16-17(20)11-19(4,5)12-18(16)21/h10,15,18,21H,6-9,11-13H2,1-5H3
InChIKeyRRIWIFLGMRAICA-UHFFFAOYSA-N
XLogP5.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 107817925
1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 115408512
2,6,6-trimethyl-1-pent-3-ynyl-5,7-dihydro-4H-indol-4-ol
CID 116645351
1-(2-hydroxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62359810
1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464982
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63464666
2-(2-ethylhexyl)-3-hydroxy-6-methyl-3H-isoindol-1-one
CID 170439962
1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 107370388
1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 62198989
1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466415
2-(2-ethylhexyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90949798

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (CID 107817926) is 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is CCCCC(CC)Cn1c(C)cc2c1CC(C)(C)CC2O.
What is the InChIKey of 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is RRIWIFLGMRAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-8-9-15(7-2)13-20-14(3)10-16-17(20)11-19(4,5)12-18(16)21/h10,15,18,21H,6-9,11-13H2,1-5H3.
What are the key properties of 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 291.48 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 107817926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).