2-azido-5-phenylmethoxybenzaldehyde

C14H11N3O2 — CID 150841101

IUPAC2-azido-5-phenylmethoxybenzaldehyde
SMILES[N-]=[N+]=Nc1ccc(OCc2ccccc2)cc1C=O
InChIInChI=1S/C14H11N3O2/c15-17-16-14-7-6-13(8-12(14)9-18)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyKNZUKUAWWSUALH-UHFFFAOYSA-N
MW253.26 g/mol
LogP4.02
Rot. Bonds5

About 2-azido-5-phenylmethoxybenzaldehyde

2-azido-5-phenylmethoxybenzaldehyde (PubChem CID 150841101) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-azido-5-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-azido-5-phenylmethoxybenzaldehyde
PubChem CID150841101
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-azido-5-phenylmethoxybenzaldehyde
SMILES[N-]=[N+]=Nc1ccc(OCc2ccccc2)cc1C=O
InChIInChI=1S/C14H11N3O2/c15-17-16-14-7-6-13(8-12(14)9-18)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyKNZUKUAWWSUALH-UHFFFAOYSA-N
XLogP4.02
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 54.02
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

1-azido-2-methyl-4-phenylmethoxybenzene
CID 151318667
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-azido-5-phenylmethoxypyrimidine
CID 90459772
1-azido-3-(4-phenylmethoxyphenyl)benzene
CID 169326217
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
CID 150506758
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179
2-fluoro-1-nitroso-4-phenylmethoxybenzene
CID 123801524
N,N-diethyl-2-formyl-4-phenylmethoxybenzamide
CID 82544299
2-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
2-oxo-6-phenylmethoxychromene-3-carbaldehyde
CID 135313712
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-phenylmethoxybenzaldehyde?
The IUPAC name of 2-azido-5-phenylmethoxybenzaldehyde (CID 150841101) is 2-azido-5-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-azido-5-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-azido-5-phenylmethoxybenzaldehyde is [N-]=[N+]=Nc1ccc(OCc2ccccc2)cc1C=O.
What is the InChIKey of 2-azido-5-phenylmethoxybenzaldehyde?
The InChIKey is KNZUKUAWWSUALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-17-16-14-7-6-13(8-12(14)9-18)19-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-azido-5-phenylmethoxybenzaldehyde?
2-azido-5-phenylmethoxybenzaldehyde has a molecular weight of 253.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-phenylmethoxybenzaldehyde is sourced from PubChem (CID 150841101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).