4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole

C14H18ClN3O2 — CID 112719662

IUPAC4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole
SMILESCCn1cc(CCc2cc(OC)c(Cl)cc2OC)nn1
InChIInChI=1S/C14H18ClN3O2/c1-4-18-9-11(16-17-18)6-5-10-7-14(20-3)12(15)8-13(10)19-2/h7-9H,4-6H2,1-3H3
InChIKeyGJMVLYOFKFNFMA-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.75
Rot. Bonds6

About 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole

4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole (PubChem CID 112719662) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole.

Molecular Properties

Compound Name4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole
PubChem CID112719662
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole
SMILESCCn1cc(CCc2cc(OC)c(Cl)cc2OC)nn1
InChIInChI=1S/C14H18ClN3O2/c1-4-18-9-11(16-17-18)6-5-10-7-14(20-3)12(15)8-13(10)19-2/h7-9H,4-6H2,1-3H3
InChIKeyGJMVLYOFKFNFMA-UHFFFAOYSA-N
XLogP2.75
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]-1-ethyltriazole
CID 112719250
1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
CID 112719041
4-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-ethyltriazole
CID 112717208
1-benzyl-4-[2-(5-chloro-2-methoxyphenyl)ethyl]triazole
CID 112718716
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
CID 112717101
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 116641699
2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol
CID 62400404
1-ethyl-4-(2-propoxyethyl)triazole
CID 162703060
CID 88950552
CID 88950552
bis(1,4-diethyltriazole);ethane
CID 160569546
2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride
CID 84789431

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole?
The IUPAC name of 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole (CID 112719662) is 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole.
What is the SMILES notation for 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole?
The canonical SMILES for 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole is CCn1cc(CCc2cc(OC)c(Cl)cc2OC)nn1.
What is the InChIKey of 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole?
The InChIKey is GJMVLYOFKFNFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-4-18-9-11(16-17-18)6-5-10-7-14(20-3)12(15)8-13(10)19-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole?
4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole has a molecular weight of 295.77 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole is sourced from PubChem (CID 112719662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).