4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde

C19H19N3O3 — CID 83525282

IUPAC4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H19N3O3/c1-2-24-19-10-16(13-23)8-9-18(19)25-14-17-12-22(21-20-17)11-15-6-4-3-5-7-15/h3-10,12-13H,2,11,14H2,1H3
InChIKeyYMQZIEVKWJZTJR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.12
Rot. Bonds8

About 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde

4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde (PubChem CID 83525282) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde
PubChem CID83525282
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H19N3O3/c1-2-24-19-10-16(13-23)8-9-18(19)25-14-17-12-22(21-20-17)11-15-6-4-3-5-7-15/h3-10,12-13H,2,11,14H2,1H3
InChIKeyYMQZIEVKWJZTJR-UHFFFAOYSA-N
XLogP3.12
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879
1-benzyl-4-[(2-bromophenoxy)methyl]triazole
CID 132505108
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
1,4-dibenzyltriazole
CID 56663361
2-[[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]methylidene]propanedinitrile
CID 135398305
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde
CID 115580518
(E)-3-(1-benzyltriazol-4-yl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 26691052

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde?
The IUPAC name of 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde (CID 83525282) is 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde.
What is the SMILES notation for 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde?
The canonical SMILES for 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde is CCOc1cc(C=O)ccc1OCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde?
The InChIKey is YMQZIEVKWJZTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-24-19-10-16(13-23)8-9-18(19)25-14-17-12-22(21-20-17)11-15-6-4-3-5-7-15/h3-10,12-13H,2,11,14H2,1H3.
What are the key properties of 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde?
4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde has a molecular weight of 337.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde is sourced from PubChem (CID 83525282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).