4-(azidomethyl)-3-phenylmethoxybenzaldehyde

C15H13N3O2 — CID 22493927

IUPAC4-(azidomethyl)-3-phenylmethoxybenzaldehyde
SMILES[N-]=[N+]=NCc1ccc(C=O)cc1OCc1ccccc1
InChIInChI=1S/C15H13N3O2/c16-18-17-9-14-7-6-13(10-19)8-15(14)20-11-12-4-2-1-3-5-12/h1-8,10H,9,11H2
InChIKeyREGZSUKEXGTBND-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.89
Rot. Bonds6

About 4-(azidomethyl)-3-phenylmethoxybenzaldehyde

4-(azidomethyl)-3-phenylmethoxybenzaldehyde (PubChem CID 22493927) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(azidomethyl)-3-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name4-(azidomethyl)-3-phenylmethoxybenzaldehyde
PubChem CID22493927
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-(azidomethyl)-3-phenylmethoxybenzaldehyde
SMILES[N-]=[N+]=NCc1ccc(C=O)cc1OCc1ccccc1
InChIInChI=1S/C15H13N3O2/c16-18-17-9-14-7-6-13(10-19)8-15(14)20-11-12-4-2-1-3-5-12/h1-8,10H,9,11H2
InChIKeyREGZSUKEXGTBND-UHFFFAOYSA-N
XLogP3.89
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
2-(azidomethyl)-1-phenylmethoxy-4-(trifluoromethyl)benzene
CID 22661941
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
bis(5-formyl-2-phenylmethoxyphenyl)iodanium bromide
CID 11204409
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmethoxybenzaldehyde
CID 86668560
4-(azidomethyl)benzaldehyde
CID 57444853

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-3-phenylmethoxybenzaldehyde?
The IUPAC name of 4-(azidomethyl)-3-phenylmethoxybenzaldehyde (CID 22493927) is 4-(azidomethyl)-3-phenylmethoxybenzaldehyde.
What is the SMILES notation for 4-(azidomethyl)-3-phenylmethoxybenzaldehyde?
The canonical SMILES for 4-(azidomethyl)-3-phenylmethoxybenzaldehyde is [N-]=[N+]=NCc1ccc(C=O)cc1OCc1ccccc1.
What is the InChIKey of 4-(azidomethyl)-3-phenylmethoxybenzaldehyde?
The InChIKey is REGZSUKEXGTBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-18-17-9-14-7-6-13(10-19)8-15(14)20-11-12-4-2-1-3-5-12/h1-8,10H,9,11H2.
What are the key properties of 4-(azidomethyl)-3-phenylmethoxybenzaldehyde?
4-(azidomethyl)-3-phenylmethoxybenzaldehyde has a molecular weight of 267.29 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-3-phenylmethoxybenzaldehyde is sourced from PubChem (CID 22493927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).