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

C15H21NO — CID 116996378

IUPAC2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol
SMILESCc1[nH]c2ccc(C(CO)C(C)C)cc2c1C
InChIInChI=1S/C15H21NO/c1-9(2)14(8-17)12-5-6-15-13(7-12)10(3)11(4)16-15/h5-7,9,14,16-17H,8H2,1-4H3
InChIKeyKLXQRJOTZUPCOX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.52
Rot. Bonds3

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

2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol (PubChem CID 116996378) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol
PubChem CID116996378
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol
SMILESCc1[nH]c2ccc(C(CO)C(C)C)cc2c1C
InChIInChI=1S/C15H21NO/c1-9(2)14(8-17)12-5-6-15-13(7-12)10(3)11(4)16-15/h5-7,9,14,16-17H,8H2,1-4H3
InChIKeyKLXQRJOTZUPCOX-UHFFFAOYSA-N
XLogP3.52
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.52
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)butan-1-ol
CID 116996376
3-methyl-2-(3-methyl-1H-indol-5-yl)butan-1-ol
CID 116996548
(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanol
CID 84620017
3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol
CID 116986132
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
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 82082656
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43097887
N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 111461060
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide;molecular hydrogen
CID 144948492
1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone
CID 22097863

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol (CID 116996378) is 2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol is Cc1[nH]c2ccc(C(CO)C(C)C)cc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol?
The InChIKey is KLXQRJOTZUPCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9(2)14(8-17)12-5-6-15-13(7-12)10(3)11(4)16-15/h5-7,9,14,16-17H,8H2,1-4H3.
What are the key properties of 2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol?
2-(2,3-dimethyl-1H-indol-5-yl)-3-methylbutan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.52, 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)-3-methylbutan-1-ol is sourced from PubChem (CID 116996378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).