2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol

C11H11Cl2NO — CID 22021337

IUPAC2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol
SMILESCn1ccc2cc(C(O)CCl)cc(Cl)c21
InChIInChI=1S/C11H11Cl2NO/c1-14-3-2-7-4-8(10(15)6-12)5-9(13)11(7)14/h2-5,10,15H,6H2,1H3
InChIKeyUVLODALMANQJQZ-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol

2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol (PubChem CID 22021337) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol
PubChem CID22021337
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol
SMILESCn1ccc2cc(C(O)CCl)cc(Cl)c21
InChIInChI=1S/C11H11Cl2NO/c1-14-3-2-7-4-8(10(15)6-12)5-9(13)11(7)14/h2-5,10,15H,6H2,1H3
InChIKeyUVLODALMANQJQZ-UHFFFAOYSA-N
XLogP3.10
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol?
The IUPAC name of 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol (CID 22021337) is 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol.
What is the SMILES notation for 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol?
The canonical SMILES for 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol is Cn1ccc2cc(C(O)CCl)cc(Cl)c21.
What is the InChIKey of 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol?
The InChIKey is UVLODALMANQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-14-3-2-7-4-8(10(15)6-12)5-9(13)11(7)14/h2-5,10,15H,6H2,1H3.
What are the key properties of 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol?
2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol has a molecular weight of 244.12 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(7-chloro-1-methylindol-5-yl)ethanol is sourced from PubChem (CID 22021337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).