1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide

C17H28BrNO — CID 173075648

IUPAC1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide
SMILESBr.CCCCCC(O)N1c2ccccc2C(C)(C)C1C
InChIInChI=1S/C17H27NO.BrH/c1-5-6-7-12-16(19)18-13(2)17(3,4)14-10-8-9-11-15(14)18;/h8-11,13,16,19H,5-7,12H2,1-4H3;1H
InChIKeyGCIQZDNVNJARAD-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.65
Rot. Bonds5

About 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide

1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide (PubChem CID 173075648) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide.

Molecular Properties

Compound Name1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide
PubChem CID173075648
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide
SMILESBr.CCCCCC(O)N1c2ccccc2C(C)(C)C1C
InChIInChI=1S/C17H27NO.BrH/c1-5-6-7-12-16(19)18-13(2)17(3,4)14-10-8-9-11-15(14)18;/h8-11,13,16,19H,5-7,12H2,1-4H3;1H
InChIKeyGCIQZDNVNJARAD-UHFFFAOYSA-N
XLogP4.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-(2,3,3-trimethyl-2H-indol-1-yl)acetate;hydrobromide
CID 173098178
1-tert-butyl-2,3,3-trimethyl-2H-indole
CID 162296328
1,3-bis(1-butyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 59773729
aniline;hexane-1,1-diol
CID 174683657
(1R)-1-phenyloctan-1-ol
CID 12794259
4-[(2,3,3-trimethyl-2H-indol-1-yl)methyl]benzoic acid
CID 141175126
(1S,2S,3R)-2-[(1R)-1-hydroxynonyl]-3-methyl-1-(2-phenylethyl)cyclopropan-1-ol
CID 134931123
2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine
CID 43130428
1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
CID 65411363
1-(1-hydroxyhexyl)pyrrole-2,5-dione
CID 121483359
4-(1,3,3-trimethyl-2H-indol-2-yl)butanamide
CID 15532333
2,4-bis[(E)-(3,3-dimethyl-1-octadecylindol-2-ylidene)methyl]cyclobutane-1,3-dione
CID 177396907

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide?
The IUPAC name of 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide (CID 173075648) is 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide.
What is the SMILES notation for 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide?
The canonical SMILES for 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide is Br.CCCCCC(O)N1c2ccccc2C(C)(C)C1C.
What is the InChIKey of 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide?
The InChIKey is GCIQZDNVNJARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.BrH/c1-5-6-7-12-16(19)18-13(2)17(3,4)14-10-8-9-11-15(14)18;/h8-11,13,16,19H,5-7,12H2,1-4H3;1H.
What are the key properties of 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide?
1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide has a molecular weight of 342.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide is sourced from PubChem (CID 173075648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).