3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol

C16H22ClNO — CID 83945163

IUPAC3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol
SMILESCCCCc1cn(CCCO)c2c(C)c(Cl)ccc12
InChIInChI=1S/C16H22ClNO/c1-3-4-6-13-11-18(9-5-10-19)16-12(2)15(17)8-7-14(13)16/h7-8,11,19H,3-6,9-10H2,1-2H3
InChIKeyUJMKVVWHOXSQNK-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.33
Rot. Bonds6

About 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol

3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol (PubChem CID 83945163) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol
PubChem CID83945163
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol
SMILESCCCCc1cn(CCCO)c2c(C)c(Cl)ccc12
InChIInChI=1S/C16H22ClNO/c1-3-4-6-13-11-18(9-5-10-19)16-12(2)15(17)8-7-14(13)16/h7-8,11,19H,3-6,9-10H2,1-2H3
InChIKeyUJMKVVWHOXSQNK-UHFFFAOYSA-N
XLogP4.33
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
CID 83945161
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122
3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
CID 83944807
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
1,3-dibutyl-6-methylindole-7-carboxylic acid
CID 83946379
3-butyl-1-(3-hydroxypropyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946285
3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
CID 83946411
2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947656
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol?
The IUPAC name of 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol (CID 83945163) is 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol is CCCCc1cn(CCCO)c2c(C)c(Cl)ccc12.
What is the InChIKey of 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol?
The InChIKey is UJMKVVWHOXSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-4-6-13-11-18(9-5-10-19)16-12(2)15(17)8-7-14(13)16/h7-8,11,19H,3-6,9-10H2,1-2H3.
What are the key properties of 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol?
3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol has a molecular weight of 279.81 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol is sourced from PubChem (CID 83945163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).