1-(2-chloro-1,5-dimethylindol-3-yl)ethanol

C12H14ClNO — CID 82268441

IUPAC1-(2-chloro-1,5-dimethylindol-3-yl)ethanol
SMILESCc1ccc2c(c1)c(C(C)O)c(Cl)n2C
InChIInChI=1S/C12H14ClNO/c1-7-4-5-10-9(6-7)11(8(2)15)12(13)14(10)3/h4-6,8,15H,1-3H3
InChIKeyBKHOOWOTJMPTRQ-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.19
Rot. Bonds1

About 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol

1-(2-chloro-1,5-dimethylindol-3-yl)ethanol (PubChem CID 82268441) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-1,5-dimethylindol-3-yl)ethanol
PubChem CID82268441
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(2-chloro-1,5-dimethylindol-3-yl)ethanol
SMILESCc1ccc2c(c1)c(C(C)O)c(Cl)n2C
InChIInChI=1S/C12H14ClNO/c1-7-4-5-10-9(6-7)11(8(2)15)12(13)14(10)3/h4-6,8,15H,1-3H3
InChIKeyBKHOOWOTJMPTRQ-UHFFFAOYSA-N
XLogP3.19
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol?
The IUPAC name of 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol (CID 82268441) is 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol?
The canonical SMILES for 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol is Cc1ccc2c(c1)c(C(C)O)c(Cl)n2C.
What is the InChIKey of 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol?
The InChIKey is BKHOOWOTJMPTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-7-4-5-10-9(6-7)11(8(2)15)12(13)14(10)3/h4-6,8,15H,1-3H3.
What are the key properties of 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol?
1-(2-chloro-1,5-dimethylindol-3-yl)ethanol has a molecular weight of 223.70 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,5-dimethylindol-3-yl)ethanol is sourced from PubChem (CID 82268441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).