1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol

C14H18ClNO — CID 83944411

IUPAC1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol
SMILESCCCn1cc(C(C)O)c2cc(C)c(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-4-5-16-8-12(10(3)17)11-6-9(2)13(15)7-14(11)16/h6-8,10,17H,4-5H2,1-3H3
InChIKeyGLDRLHIPOMFDQD-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.07
Rot. Bonds3

About 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol

1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol (PubChem CID 83944411) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol
PubChem CID83944411
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol
SMILESCCCn1cc(C(C)O)c2cc(C)c(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-4-5-16-8-12(10(3)17)11-6-9(2)13(15)7-14(11)16/h6-8,10,17H,4-5H2,1-3H3
InChIKeyGLDRLHIPOMFDQD-UHFFFAOYSA-N
XLogP4.07
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
CID 83944381
1-(1-butyl-6-chloroindol-3-yl)ethanol
CID 83945241
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
CID 83945010
1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol
CID 83944727
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone
CID 83947416
methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
CID 83947420
1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol
CID 83945111
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
1-(1,5-diethylindol-3-yl)ethanol
CID 83945334
3-(1-hydroxyethyl)-1-propylindole-4-carboxylic acid
CID 83945682

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol?
The IUPAC name of 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol (CID 83944411) is 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol.
What is the SMILES notation for 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol?
The canonical SMILES for 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol is CCCn1cc(C(C)O)c2cc(C)c(Cl)cc21.
What is the InChIKey of 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol?
The InChIKey is GLDRLHIPOMFDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-4-5-16-8-12(10(3)17)11-6-9(2)13(15)7-14(11)16/h6-8,10,17H,4-5H2,1-3H3.
What are the key properties of 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol?
1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol has a molecular weight of 251.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol is sourced from PubChem (CID 83944411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).