1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol

C15H25NO — CID 62198989

IUPAC1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCCCCC(C)n1c(C)cc2c1CCCC2O
InChIInChI=1S/C15H25NO/c1-4-5-7-11(2)16-12(3)10-13-14(16)8-6-9-15(13)17/h10-11,15,17H,4-9H2,1-3H3
InChIKeyFMJKTVLOGJJCLO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.92
Rot. Bonds4

About 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol

1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 62198989) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol
PubChem CID62198989
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCCCCC(C)n1c(C)cc2c1CCCC2O
InChIInChI=1S/C15H25NO/c1-4-5-7-11(2)16-12(3)10-13-14(16)8-6-9-15(13)17/h10-11,15,17H,4-9H2,1-3H3
InChIKeyFMJKTVLOGJJCLO-UHFFFAOYSA-N
XLogP3.92
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol (CID 62198989) is 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol is CCCCC(C)n1c(C)cc2c1CCCC2O.
What is the InChIKey of 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is FMJKTVLOGJJCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-7-11(2)16-12(3)10-13-14(16)8-6-9-15(13)17/h10-11,15,17H,4-9H2,1-3H3.
What are the key properties of 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 235.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 62198989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).