3-chloro-1-(2-methoxyethyl)-4-methylindole

C12H14ClNO — CID 158655918

IUPAC3-chloro-1-(2-methoxyethyl)-4-methylindole
SMILESCOCCn1cc(Cl)c2c(C)cccc21
InChIInChI=1S/C12H14ClNO/c1-9-4-3-5-11-12(9)10(13)8-14(11)6-7-15-2/h3-5,8H,6-7H2,1-2H3
InChIKeyDABZEXYSHBIKLA-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.25
Rot. Bonds3

About 3-chloro-1-(2-methoxyethyl)-4-methylindole

3-chloro-1-(2-methoxyethyl)-4-methylindole (PubChem CID 158655918) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-chloro-1-(2-methoxyethyl)-4-methylindole.

Molecular Properties

Compound Name3-chloro-1-(2-methoxyethyl)-4-methylindole
PubChem CID158655918
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-chloro-1-(2-methoxyethyl)-4-methylindole
SMILESCOCCn1cc(Cl)c2c(C)cccc21
InChIInChI=1S/C12H14ClNO/c1-9-4-3-5-11-12(9)10(13)8-14(11)6-7-15-2/h3-5,8H,6-7H2,1-2H3
InChIKeyDABZEXYSHBIKLA-UHFFFAOYSA-N
XLogP3.25
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde
CID 88940775
tert-butyl N-[3-chloro-1-(2-methoxyethyl)indol-4-yl]carbamate;ethane
CID 142556614
N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine
CID 126583121
(3-chloro-1-propylindol-4-yl)azanium chloride
CID 138543966
4-chloro-1-(2-methoxyethyl)indole-3-carboxylic acid;2-(trifluoromethyl)benzamide
CID 175105200
1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride
CID 83165314
(1-butyl-3-chloroindol-4-yl)azanium
CID 154616295
7-chloro-1-(2-methoxyethyl)indole
CID 103474736
1-(3-methoxypropyl)-4-methylindole
CID 116620203
4-(3-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62803414
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methoxyethyl)-4-methylindole?
The IUPAC name of 3-chloro-1-(2-methoxyethyl)-4-methylindole (CID 158655918) is 3-chloro-1-(2-methoxyethyl)-4-methylindole.
What is the SMILES notation for 3-chloro-1-(2-methoxyethyl)-4-methylindole?
The canonical SMILES for 3-chloro-1-(2-methoxyethyl)-4-methylindole is COCCn1cc(Cl)c2c(C)cccc21.
What is the InChIKey of 3-chloro-1-(2-methoxyethyl)-4-methylindole?
The InChIKey is DABZEXYSHBIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-9-4-3-5-11-12(9)10(13)8-14(11)6-7-15-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-chloro-1-(2-methoxyethyl)-4-methylindole?
3-chloro-1-(2-methoxyethyl)-4-methylindole has a molecular weight of 223.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methoxyethyl)-4-methylindole is sourced from PubChem (CID 158655918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).