1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene

C16H15N3O — CID 151010304

IUPAC1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene
SMILES[N-]=[N+]=NCC=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C16H15N3O/c17-19-18-12-6-10-15-9-4-5-11-16(15)20-13-14-7-2-1-3-8-14/h1-11H,12-13H2
InChIKeyLVYGKRCVQXIZRY-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.59
Rot. Bonds6

About 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene

1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene (PubChem CID 151010304) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene
PubChem CID151010304
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene
SMILES[N-]=[N+]=NCC=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C16H15N3O/c17-19-18-12-6-10-15-9-4-5-11-16(15)20-13-14-7-2-1-3-8-14/h1-11H,12-13H2
InChIKeyLVYGKRCVQXIZRY-UHFFFAOYSA-N
XLogP4.59
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.59
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-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
(2-phenylmethoxyphenyl)methylidenehydrazine
CID 78678885
6-(azidomethyl)-4-phenylmethoxyquinoline
CID 86003622
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
CID 169462001
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388
4-(azidomethyl)-3-phenylmethoxybenzaldehyde
CID 22493927
3-(3-azidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169461810

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene (CID 151010304) is 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene is [N-]=[N+]=NCC=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene?
The InChIKey is LVYGKRCVQXIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-19-18-12-6-10-15-9-4-5-11-16(15)20-13-14-7-2-1-3-8-14/h1-11H,12-13H2.
What are the key properties of 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene?
1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene has a molecular weight of 265.32 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 151010304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).