1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol

C17H24ClNO — CID 82268617

IUPAC1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol
SMILESCCCCn1c(Cl)c(C(C)O)c2cc(C(C)C)ccc21
InChIInChI=1S/C17H24ClNO/c1-5-6-9-19-15-8-7-13(11(2)3)10-14(15)16(12(4)20)17(19)18/h7-8,10-12,20H,5-6,9H2,1-4H3
InChIKeyNMCIYEUGZADDHH-UHFFFAOYSA-N
MW293.84 g/mol
LogP5.27
Rot. Bonds5

About 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol

1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol (PubChem CID 82268617) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol
PubChem CID82268617
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol
SMILESCCCCn1c(Cl)c(C(C)O)c2cc(C(C)C)ccc21
InChIInChI=1S/C17H24ClNO/c1-5-6-9-19-15-8-7-13(11(2)3)10-14(15)16(12(4)20)17(19)18/h7-8,10-12,20H,5-6,9H2,1-4H3
InChIKeyNMCIYEUGZADDHH-UHFFFAOYSA-N
XLogP5.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.84
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol?
The IUPAC name of 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol (CID 82268617) is 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol.
What is the SMILES notation for 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol?
The canonical SMILES for 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol is CCCCn1c(Cl)c(C(C)O)c2cc(C(C)C)ccc21.
What is the InChIKey of 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol?
The InChIKey is NMCIYEUGZADDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-5-6-9-19-15-8-7-13(11(2)3)10-14(15)16(12(4)20)17(19)18/h7-8,10-12,20H,5-6,9H2,1-4H3.
What are the key properties of 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol?
1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol has a molecular weight of 293.84 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol is sourced from PubChem (CID 82268617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).