1-azido-3-(4-phenylmethoxyphenyl)benzene

C19H15N3O — CID 169326217

IUPAC1-azido-3-(4-phenylmethoxyphenyl)benzene
SMILES[N-]=[N+]=Nc1cccc(-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C19H15N3O/c20-22-21-18-8-4-7-17(13-18)16-9-11-19(12-10-16)23-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyFTEZTGHRIAXLBP-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.87
Rot. Bonds5

About 1-azido-3-(4-phenylmethoxyphenyl)benzene

1-azido-3-(4-phenylmethoxyphenyl)benzene (PubChem CID 169326217) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-azido-3-(4-phenylmethoxyphenyl)benzene.

Molecular Properties

Compound Name1-azido-3-(4-phenylmethoxyphenyl)benzene
PubChem CID169326217
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-azido-3-(4-phenylmethoxyphenyl)benzene
SMILES[N-]=[N+]=Nc1cccc(-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C19H15N3O/c20-22-21-18-8-4-7-17(13-18)16-9-11-19(12-10-16)23-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyFTEZTGHRIAXLBP-UHFFFAOYSA-N
XLogP5.87
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
1-azido-2-methyl-4-phenylmethoxybenzene
CID 151318667
2-azido-5-phenylmethoxybenzaldehyde
CID 150841101
methyl N-cyano-N'-[3-(4-phenylmethoxyphenyl)phenyl]carbamimidothioate
CID 169363745
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
1-azido-4-[(4-fluorophenyl)methoxy]benzene
CID 150502855
2-azido-5-phenylmethoxypyrimidine
CID 90459772
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
4-azido-2-phenylmethoxybenzonitrile
CID 150250113
1-isocyanato-4-(3-phenylmethoxyphenyl)benzene
CID 169354799
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-(4-phenylmethoxyphenyl)benzene?
The IUPAC name of 1-azido-3-(4-phenylmethoxyphenyl)benzene (CID 169326217) is 1-azido-3-(4-phenylmethoxyphenyl)benzene.
What is the SMILES notation for 1-azido-3-(4-phenylmethoxyphenyl)benzene?
The canonical SMILES for 1-azido-3-(4-phenylmethoxyphenyl)benzene is [N-]=[N+]=Nc1cccc(-c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 1-azido-3-(4-phenylmethoxyphenyl)benzene?
The InChIKey is FTEZTGHRIAXLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c20-22-21-18-8-4-7-17(13-18)16-9-11-19(12-10-16)23-14-15-5-2-1-3-6-15/h1-13H,14H2.
What are the key properties of 1-azido-3-(4-phenylmethoxyphenyl)benzene?
1-azido-3-(4-phenylmethoxyphenyl)benzene has a molecular weight of 301.35 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(4-phenylmethoxyphenyl)benzene is sourced from PubChem (CID 169326217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).