1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol

C16H16BrN3O2 — CID 14167088

IUPAC1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol
SMILESCC(O)(CN=[N+]=[N-])c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C16H16BrN3O2/c1-16(21,11-19-20-18)14-9-13(7-8-15(14)17)22-10-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3
InChIKeyBFTLLOMWNPDRBP-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.55
Rot. Bonds6

About 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol

1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol (PubChem CID 14167088) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol
PubChem CID14167088
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol
SMILESCC(O)(CN=[N+]=[N-])c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C16H16BrN3O2/c1-16(21,11-19-20-18)14-9-13(7-8-15(14)17)22-10-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3
InChIKeyBFTLLOMWNPDRBP-UHFFFAOYSA-N
XLogP4.55
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.55
H-Bond Donors ≤ 51
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'}

Analyze 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azido-1-(4-phenylmethoxyphenyl)ethanone
CID 71416333
(2S)-1-azido-2-(2-bromo-3-methylphenyl)propan-2-ol
CID 118067635
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
1-azido-2-methyl-4-phenylmethoxybenzene
CID 151318667
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol?
The IUPAC name of 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol (CID 14167088) is 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol is CC(O)(CN=[N+]=[N-])c1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol?
The InChIKey is BFTLLOMWNPDRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-16(21,11-19-20-18)14-9-13(7-8-15(14)17)22-10-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3.
What are the key properties of 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol?
1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol has a molecular weight of 362.23 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol is sourced from PubChem (CID 14167088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).