3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol

C16H23NO — CID 83944350

IUPAC3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
SMILESCCCn1cc(CCCO)c2cc(C)c(C)cc21
InChIInChI=1S/C16H23NO/c1-4-7-17-11-14(6-5-8-18)15-9-12(2)13(3)10-16(15)17/h9-11,18H,4-8H2,1-3H3
InChIKeyDUUZYORCTYMVDY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.59
Rot. Bonds5

About 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol

3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol (PubChem CID 83944350) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
PubChem CID83944350
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
SMILESCCCn1cc(CCCO)c2cc(C)c(C)cc21
InChIInChI=1S/C16H23NO/c1-4-7-17-11-14(6-5-8-18)15-9-12(2)13(3)10-16(15)17/h9-11,18H,4-8H2,1-3H3
InChIKeyDUUZYORCTYMVDY-UHFFFAOYSA-N
XLogP3.59
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
3-(5-bromo-1-propylindol-3-yl)propan-1-ol
CID 83946739
3-butyl-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963392
3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
CID 83945302
2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
CID 112540741
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948856
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
3-butyl-1-propylindole-6-carboxylic acid
CID 83946604
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944375

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol?
The IUPAC name of 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol (CID 83944350) is 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol is CCCn1cc(CCCO)c2cc(C)c(C)cc21.
What is the InChIKey of 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol?
The InChIKey is DUUZYORCTYMVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-7-17-11-14(6-5-8-18)15-9-12(2)13(3)10-16(15)17/h9-11,18H,4-8H2,1-3H3.
What are the key properties of 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol?
3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol is sourced from PubChem (CID 83944350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).