4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene

C16H17N3O2 — CID 42625428

IUPAC4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
SMILESCOc1ccc(C(C)N=[N+]=[N-])cc1OCc1ccccc1
InChIInChI=1S/C16H17N3O2/c1-12(18-19-17)14-8-9-15(20-2)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyAJQFXLIJCMCMSD-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.65
Rot. Bonds6

About 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene

4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene (PubChem CID 42625428) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene.

Molecular Properties

Compound Name4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
PubChem CID42625428
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
SMILESCOc1ccc(C(C)N=[N+]=[N-])cc1OCc1ccccc1
InChIInChI=1S/C16H17N3O2/c1-12(18-19-17)14-8-9-15(20-2)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyAJQFXLIJCMCMSD-UHFFFAOYSA-N
XLogP4.65
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.65
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

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496
1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171304822

Frequently Asked Questions

What is the IUPAC name of 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene?
The IUPAC name of 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene (CID 42625428) is 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene.
What is the SMILES notation for 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene?
The canonical SMILES for 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene is COc1ccc(C(C)N=[N+]=[N-])cc1OCc1ccccc1.
What is the InChIKey of 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene?
The InChIKey is AJQFXLIJCMCMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(18-19-17)14-8-9-15(20-2)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene?
4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene has a molecular weight of 283.33 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene is sourced from PubChem (CID 42625428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).