1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol

C13H16ClNO2 — CID 82268873

IUPAC1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol
SMILESCCn1c(Cl)c(C(C)O)c2cc(OC)ccc21
InChIInChI=1S/C13H16ClNO2/c1-4-15-11-6-5-9(17-3)7-10(11)12(8(2)16)13(15)14/h5-8,16H,4H2,1-3H3
InChIKeyFLAHFVQDJDXCQD-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.38
Rot. Bonds3

About 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol

1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol (PubChem CID 82268873) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol
PubChem CID82268873
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol
SMILESCCn1c(Cl)c(C(C)O)c2cc(OC)ccc21
InChIInChI=1S/C13H16ClNO2/c1-4-15-11-6-5-9(17-3)7-10(11)12(8(2)16)13(15)14/h5-8,16H,4H2,1-3H3
InChIKeyFLAHFVQDJDXCQD-UHFFFAOYSA-N
XLogP3.38
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol
CID 82268473
1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol
CID 82268617
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
5-methoxy-1,2-dimethyl-3-propan-2-ylindole
CID 167327667
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide
CID 138973720
1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol
CID 82269259
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82268904
2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
CID 89024435
2-[1-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol
CID 21127126

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol?
The IUPAC name of 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol (CID 82268873) is 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol?
The canonical SMILES for 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol is CCn1c(Cl)c(C(C)O)c2cc(OC)ccc21.
What is the InChIKey of 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol?
The InChIKey is FLAHFVQDJDXCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-4-15-11-6-5-9(17-3)7-10(11)12(8(2)16)13(15)14/h5-8,16H,4H2,1-3H3.
What are the key properties of 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol?
1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol has a molecular weight of 253.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol is sourced from PubChem (CID 82268873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).