2-azido-1-(4-phenylmethoxyphenyl)ethanone

C15H13N3O2 — CID 71416333

IUPAC2-azido-1-(4-phenylmethoxyphenyl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H13N3O2/c16-18-17-10-15(19)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyXZVXAOCQTPXLCS-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.76
Rot. Bonds6

About 2-azido-1-(4-phenylmethoxyphenyl)ethanone

2-azido-1-(4-phenylmethoxyphenyl)ethanone (PubChem CID 71416333) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-azido-1-(4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-azido-1-(4-phenylmethoxyphenyl)ethanone
PubChem CID71416333
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-azido-1-(4-phenylmethoxyphenyl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H13N3O2/c16-18-17-10-15(19)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyXZVXAOCQTPXLCS-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-azido-1-phenylethanone;ethane
CID 90958641
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10902848
4-phenylmethoxybenzoic acid
CID 68896574
benzyl 5-(2-azidoacetyl)-2-hydroxybenzoate
CID 141013220
4-phenylmethoxybenzoyl fluoride
CID 154719359
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 51050714
N-methyl-4-phenylmethoxybenzamide
CID 2996745

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-azido-1-(4-phenylmethoxyphenyl)ethanone (CID 71416333) is 2-azido-1-(4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-azido-1-(4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-azido-1-(4-phenylmethoxyphenyl)ethanone is [N-]=[N+]=NCC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-azido-1-(4-phenylmethoxyphenyl)ethanone?
The InChIKey is XZVXAOCQTPXLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-18-17-10-15(19)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-azido-1-(4-phenylmethoxyphenyl)ethanone?
2-azido-1-(4-phenylmethoxyphenyl)ethanone has a molecular weight of 267.29 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 71416333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).