3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol

C15H20ClNO — CID 83945161

IUPAC3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
SMILESCCCc1cn(CCCO)c2c(C)c(Cl)ccc12
InChIInChI=1S/C15H20ClNO/c1-3-5-12-10-17(8-4-9-18)15-11(2)14(16)7-6-13(12)15/h6-7,10,18H,3-5,8-9H2,1-2H3
InChIKeyGEFNIPDEOYZGGO-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.94
Rot. Bonds5

About 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol

3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol (PubChem CID 83945161) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
PubChem CID83945161
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
SMILESCCCc1cn(CCCO)c2c(C)c(Cl)ccc12
InChIInChI=1S/C15H20ClNO/c1-3-5-12-10-17(8-4-9-18)15-11(2)14(16)7-6-13(12)15/h6-7,10,18H,3-5,8-9H2,1-2H3
InChIKeyGEFNIPDEOYZGGO-UHFFFAOYSA-N
XLogP3.94
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol
CID 83945163
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-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
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
2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947656
2-(4,7-dimethyl-3-propylindol-1-yl)ethanol
CID 83944887
3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
CID 83946411
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544
1,3-dibutyl-6-methylindole-7-carboxylic acid
CID 83946379
1-chloro-2-methyl-3,4-dipropylbenzene
CID 143014391

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol?
The IUPAC name of 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol (CID 83945161) is 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol?
The canonical SMILES for 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol is CCCc1cn(CCCO)c2c(C)c(Cl)ccc12.
What is the InChIKey of 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol?
The InChIKey is GEFNIPDEOYZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-5-12-10-17(8-4-9-18)15-11(2)14(16)7-6-13(12)15/h6-7,10,18H,3-5,8-9H2,1-2H3.
What are the key properties of 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol?
3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol has a molecular weight of 265.78 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol is sourced from PubChem (CID 83945161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).