4-[(3-ethylphenoxy)methyl]-1-phenyltriazole

C17H17N3O — CID 70911020

IUPAC4-[(3-ethylphenoxy)methyl]-1-phenyltriazole
SMILESCCc1cccc(OCc2cn(-c3ccccc3)nn2)c1
InChIInChI=1S/C17H17N3O/c1-2-14-7-6-10-17(11-14)21-13-15-12-20(19-18-15)16-8-4-3-5-9-16/h3-12H,2,13H2,1H3
InChIKeyDWNVUYQGEXDTTH-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.41
Rot. Bonds5

About 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole

4-[(3-ethylphenoxy)methyl]-1-phenyltriazole (PubChem CID 70911020) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole.

Molecular Properties

Compound Name4-[(3-ethylphenoxy)methyl]-1-phenyltriazole
PubChem CID70911020
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[(3-ethylphenoxy)methyl]-1-phenyltriazole
SMILESCCc1cccc(OCc2cn(-c3ccccc3)nn2)c1
InChIInChI=1S/C17H17N3O/c1-2-14-7-6-10-17(11-14)21-13-15-12-20(19-18-15)16-8-4-3-5-9-16/h3-12H,2,13H2,1H3
InChIKeyDWNVUYQGEXDTTH-UHFFFAOYSA-N
XLogP3.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-(3-ethoxyphenyl)triazole
CID 62399472
4-[[4-[amino(dihydroxy)-λ4-sulfanyl]phenoxy]methyl]-1-phenyltriazole
CID 137348899
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
CID 3065713
2-[4-[[3-[[1-(2-formylphenyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]benzaldehyde
CID 155552516
6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703
2-chloro-6-[(3-ethylphenoxy)methyl]pyridine
CID 79240680
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
2-[(1-phenyltriazol-4-yl)methoxy]benzaldehyde
CID 139267105
2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041397
4-butyl-1-phenyltriazole
CID 25191665
1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
CID 162658624

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole?
The IUPAC name of 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole (CID 70911020) is 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole.
What is the SMILES notation for 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole?
The canonical SMILES for 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole is CCc1cccc(OCc2cn(-c3ccccc3)nn2)c1.
What is the InChIKey of 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole?
The InChIKey is DWNVUYQGEXDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-14-7-6-10-17(11-14)21-13-15-12-20(19-18-15)16-8-4-3-5-9-16/h3-12H,2,13H2,1H3.
What are the key properties of 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole?
4-[(3-ethylphenoxy)methyl]-1-phenyltriazole has a molecular weight of 279.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylphenoxy)methyl]-1-phenyltriazole is sourced from PubChem (CID 70911020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).