1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

C17H29NO — CID 107817925

IUPAC1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCCCCC(CC)Cn1c(C)cc2c1CCCC2O
InChIInChI=1S/C17H29NO/c1-4-6-8-14(5-2)12-18-13(3)11-15-16(18)9-7-10-17(15)19/h11,14,17,19H,4-10,12H2,1-3H3
InChIKeyHBRNSWJOICHIBR-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.38
Rot. Bonds6

About 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 107817925) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
PubChem CID107817925
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCCCCC(CC)Cn1c(C)cc2c1CCCC2O
InChIInChI=1S/C17H29NO/c1-4-6-8-14(5-2)12-18-13(3)11-15-16(18)9-7-10-17(15)19/h11,14,17,19H,4-10,12H2,1-3H3
InChIKeyHBRNSWJOICHIBR-UHFFFAOYSA-N
XLogP4.38
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (CID 107817925) is 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is CCCCC(CC)Cn1c(C)cc2c1CCCC2O.
What is the InChIKey of 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is HBRNSWJOICHIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-8-14(5-2)12-18-13(3)11-15-16(18)9-7-10-17(15)19/h11,14,17,19H,4-10,12H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 263.42 g/mol, XLogP of 4.38, 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-methyl-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 107817925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).