3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol

C16H22ClNO — CID 83944419

IUPAC3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
SMILESCCCCn1cc(CCCO)c2cc(C)c(Cl)cc21
InChIInChI=1S/C16H22ClNO/c1-3-4-7-18-11-13(6-5-8-19)14-9-12(2)15(17)10-16(14)18/h9-11,19H,3-8H2,1-2H3
InChIKeyAHLHQDIXZZXXTE-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.33
Rot. Bonds6

About 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol

3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol (PubChem CID 83944419) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
PubChem CID83944419
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
SMILESCCCCn1cc(CCCO)c2cc(C)c(Cl)cc21
InChIInChI=1S/C16H22ClNO/c1-3-4-7-18-11-13(6-5-8-19)14-9-12(2)15(17)10-16(14)18/h9-11,19H,3-8H2,1-2H3
InChIKeyAHLHQDIXZZXXTE-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol?
The IUPAC name of 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol (CID 83944419) is 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol is CCCCn1cc(CCCO)c2cc(C)c(Cl)cc21.
What is the InChIKey of 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol?
The InChIKey is AHLHQDIXZZXXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-4-7-18-11-13(6-5-8-19)14-9-12(2)15(17)10-16(14)18/h9-11,19H,3-8H2,1-2H3.
What are the key properties of 3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol?
3-(1-butyl-6-chloro-5-methylindol-3-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-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol is sourced from PubChem (CID 83944419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).