1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol

C14H23NO — CID 106330724

IUPAC1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCCC(C)(CC)n1ccc2c1CCCC2O
InChIInChI=1S/C14H23NO/c1-4-14(3,5-2)15-10-9-11-12(15)7-6-8-13(11)16/h9-10,13,16H,4-8H2,1-3H3
InChIKeyNXKNMCWTSBJICJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol

1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 106330724) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID106330724
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCCC(C)(CC)n1ccc2c1CCCC2O
InChIInChI=1S/C14H23NO/c1-4-14(3,5-2)15-10-9-11-12(15)7-6-8-13(11)16/h9-10,13,16H,4-8H2,1-3H3
InChIKeyNXKNMCWTSBJICJ-UHFFFAOYSA-N
XLogP3.39
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63467139
1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol
CID 64693312
1-(4-butylphenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63464655
1-(2,6-dimethylpiperidin-1-yl)-4,5,6,7-tetrahydroindol-4-ol
CID 83023764
1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63959351
1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 62813453
1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
CID 79241304
1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol
CID 113493711
1-(thiolan-2-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 80586158
1-[4-bromo-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
CID 64853598
2-[4-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)phenyl]acetonitrile
CID 62301216
5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one
CID 64670016

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol (CID 106330724) is 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol is CCC(C)(CC)n1ccc2c1CCCC2O.
What is the InChIKey of 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is NXKNMCWTSBJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(3,5-2)15-10-9-11-12(15)7-6-8-13(11)16/h9-10,13,16H,4-8H2,1-3H3.
What are the key properties of 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol?
1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 221.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 106330724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).