1-(3-azidopropoxy)-2-chloro-4-phenylbenzene

C15H14ClN3O — CID 63464160

IUPAC1-(3-azidopropoxy)-2-chloro-4-phenylbenzene
SMILES[N-]=[N+]=NCCCOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClN3O/c16-14-11-13(12-5-2-1-3-6-12)7-8-15(14)20-10-4-9-18-19-17/h1-3,5-8,11H,4,9-10H2
InChIKeyGBVASGZVEZZFDN-UHFFFAOYSA-N
MW287.75 g/mol
LogP5.09
Rot. Bonds6

About 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene

1-(3-azidopropoxy)-2-chloro-4-phenylbenzene (PubChem CID 63464160) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene.

Molecular Properties

Compound Name1-(3-azidopropoxy)-2-chloro-4-phenylbenzene
PubChem CID63464160
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-(3-azidopropoxy)-2-chloro-4-phenylbenzene
SMILES[N-]=[N+]=NCCCOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClN3O/c16-14-11-13(12-5-2-1-3-6-12)7-8-15(14)20-10-4-9-18-19-17/h1-3,5-8,11H,4,9-10H2
InChIKeyGBVASGZVEZZFDN-UHFFFAOYSA-N
XLogP5.09
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.75
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene
CID 63499479
5-(2-chloro-4-phenylphenoxy)pentan-2-one
CID 62029499
N-[2-(2-chloro-4-phenylphenoxy)ethyl]butan-1-amine
CID 63506720
N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine
CID 62571019
3-[(2-chloro-4-phenylphenoxy)methyl]pentan-3-ol
CID 114495970
N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-yn-1-amine
CID 62571020
3-(2-chloro-4-phenylphenoxy)-2-methylpropanenitrile
CID 43367426
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(3-azidopropoxy)benzamide
CID 61396560
6-[2-chloro-4-(3,4-dichlorophenyl)phenoxy]hexanoic acid
CID 69049805
1-(3-chloropropoxy)-2-methoxy-4-phenylbenzene
CID 173335600
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene?
The IUPAC name of 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene (CID 63464160) is 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene.
What is the SMILES notation for 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene?
The canonical SMILES for 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene is [N-]=[N+]=NCCCOc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene?
The InChIKey is GBVASGZVEZZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-14-11-13(12-5-2-1-3-6-12)7-8-15(14)20-10-4-9-18-19-17/h1-3,5-8,11H,4,9-10H2.
What are the key properties of 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene?
1-(3-azidopropoxy)-2-chloro-4-phenylbenzene has a molecular weight of 287.75 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropoxy)-2-chloro-4-phenylbenzene is sourced from PubChem (CID 63464160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).