1-(3-chloro-1-methylindol-4-yl)ethanol

C11H12ClNO — CID 84677358

IUPAC1-(3-chloro-1-methylindol-4-yl)ethanol
SMILESCC(O)c1cccc2c1c(Cl)cn2C
InChIInChI=1S/C11H12ClNO/c1-7(14)8-4-3-5-10-11(8)9(12)6-13(10)2/h3-7,14H,1-2H3
InChIKeyYXOWIPMYQASKCS-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.88
Rot. Bonds1

About 1-(3-chloro-1-methylindol-4-yl)ethanol

1-(3-chloro-1-methylindol-4-yl)ethanol (PubChem CID 84677358) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(3-chloro-1-methylindol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-1-methylindol-4-yl)ethanol
PubChem CID84677358
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(3-chloro-1-methylindol-4-yl)ethanol
SMILESCC(O)c1cccc2c1c(Cl)cn2C
InChIInChI=1S/C11H12ClNO/c1-7(14)8-4-3-5-10-11(8)9(12)6-13(10)2/h3-7,14H,1-2H3
InChIKeyYXOWIPMYQASKCS-UHFFFAOYSA-N
XLogP2.88
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-methylindol-4-yl)ethanol?
The IUPAC name of 1-(3-chloro-1-methylindol-4-yl)ethanol (CID 84677358) is 1-(3-chloro-1-methylindol-4-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-1-methylindol-4-yl)ethanol?
The canonical SMILES for 1-(3-chloro-1-methylindol-4-yl)ethanol is CC(O)c1cccc2c1c(Cl)cn2C.
What is the InChIKey of 1-(3-chloro-1-methylindol-4-yl)ethanol?
The InChIKey is YXOWIPMYQASKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7(14)8-4-3-5-10-11(8)9(12)6-13(10)2/h3-7,14H,1-2H3.
What are the key properties of 1-(3-chloro-1-methylindol-4-yl)ethanol?
1-(3-chloro-1-methylindol-4-yl)ethanol has a molecular weight of 209.68 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-methylindol-4-yl)ethanol is sourced from PubChem (CID 84677358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).