2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol

C14H19NO — CID 116996376

IUPAC2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol
SMILESCCC(CO)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C14H19NO/c1-4-11(8-16)12-5-6-14-13(7-12)9(2)10(3)15-14/h5-7,11,15-16H,4,8H2,1-3H3
InChIKeyDEVVOOJKDHVBPY-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.27
Rot. Bonds3

About 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol

2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol (PubChem CID 116996376) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol
PubChem CID116996376
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol
SMILESCCC(CO)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C14H19NO/c1-4-11(8-16)12-5-6-14-13(7-12)9(2)10(3)15-14/h5-7,11,15-16H,4,8H2,1-3H3
InChIKeyDEVVOOJKDHVBPY-UHFFFAOYSA-N
XLogP3.27
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol
CID 116996378
(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanol
CID 84620017
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
2-(2,3-dimethyl-1H-indol-5-yl)ethanethiol
CID 116996346
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43097887
1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
CID 115006304
2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 102497800
6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one
CID 60999414
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol?
The IUPAC name of 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol (CID 116996376) is 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol.
What is the SMILES notation for 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol?
The canonical SMILES for 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol is CCC(CO)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol?
The InChIKey is DEVVOOJKDHVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-11(8-16)12-5-6-14-13(7-12)9(2)10(3)15-14/h5-7,11,15-16H,4,8H2,1-3H3.
What are the key properties of 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol?
2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1H-indol-5-yl)butan-1-ol is sourced from PubChem (CID 116996376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).