4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole

C14H19N3O2 — CID 112719219

IUPAC4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
SMILESCCOc1ccc(C(C)Cc2cn[nH]n2)cc1OC
InChIInChI=1S/C14H19N3O2/c1-4-19-13-6-5-11(8-14(13)18-3)10(2)7-12-9-15-17-16-12/h5-6,8-10H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyUTWINEGECVNUEK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.56
Rot. Bonds6

About 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole

4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole (PubChem CID 112719219) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
PubChem CID112719219
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
SMILESCCOc1ccc(C(C)Cc2cn[nH]n2)cc1OC
InChIInChI=1S/C14H19N3O2/c1-4-19-13-6-5-11(8-14(13)18-3)10(2)7-12-9-15-17-16-12/h5-6,8-10H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyUTWINEGECVNUEK-UHFFFAOYSA-N
XLogP2.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene
CID 83938363
3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole
CID 112719037
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
4-[2-(2-chloro-4,5-diethoxyphenyl)butyl]-2H-triazole
CID 112719703
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-(3-ethoxy-4-methoxyphenyl)butanenitrile
CID 135293000

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole?
The IUPAC name of 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole (CID 112719219) is 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole is CCOc1ccc(C(C)Cc2cn[nH]n2)cc1OC.
What is the InChIKey of 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole?
The InChIKey is UTWINEGECVNUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-13-6-5-11(8-14(13)18-3)10(2)7-12-9-15-17-16-12/h5-6,8-10H,4,7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole?
4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole has a molecular weight of 261.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole is sourced from PubChem (CID 112719219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).