1-azido-2-methyl-4-phenylmethoxybenzene

C14H13N3O — CID 151318667

IUPAC1-azido-2-methyl-4-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)ccc1N=[N+]=[N-]
InChIInChI=1S/C14H13N3O/c1-11-9-13(7-8-14(11)16-17-15)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyOFZHSXGOHUWZSO-UHFFFAOYSA-N
MW239.28 g/mol
LogP4.52
Rot. Bonds4

About 1-azido-2-methyl-4-phenylmethoxybenzene

1-azido-2-methyl-4-phenylmethoxybenzene (PubChem CID 151318667) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-azido-2-methyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-azido-2-methyl-4-phenylmethoxybenzene
PubChem CID151318667
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-azido-2-methyl-4-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)ccc1N=[N+]=[N-]
InChIInChI=1S/C14H13N3O/c1-11-9-13(7-8-14(11)16-17-15)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyOFZHSXGOHUWZSO-UHFFFAOYSA-N
XLogP4.52
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 54.52
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

2-azido-5-phenylmethoxybenzaldehyde
CID 150841101
1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine
CID 164647337
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
2-azido-5-phenylmethoxypyrimidine
CID 90459772
1-azido-3-(4-phenylmethoxyphenyl)benzene
CID 169326217
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
2-fluoro-1-nitroso-4-phenylmethoxybenzene
CID 123801524
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-methyl-4-phenylmethoxybenzene?
The IUPAC name of 1-azido-2-methyl-4-phenylmethoxybenzene (CID 151318667) is 1-azido-2-methyl-4-phenylmethoxybenzene.
What is the SMILES notation for 1-azido-2-methyl-4-phenylmethoxybenzene?
The canonical SMILES for 1-azido-2-methyl-4-phenylmethoxybenzene is Cc1cc(OCc2ccccc2)ccc1N=[N+]=[N-].
What is the InChIKey of 1-azido-2-methyl-4-phenylmethoxybenzene?
The InChIKey is OFZHSXGOHUWZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-11-9-13(7-8-14(11)16-17-15)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-azido-2-methyl-4-phenylmethoxybenzene?
1-azido-2-methyl-4-phenylmethoxybenzene has a molecular weight of 239.28 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-methyl-4-phenylmethoxybenzene is sourced from PubChem (CID 151318667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).