(E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol

C18H19N3O2 — CID 102162487

IUPAC(E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol
SMILES[N-]=[N+]=NC(/C=C/c1ccccc1)C(O)COCc1ccccc1
InChIInChI=1S/C18H19N3O2/c19-21-20-17(12-11-15-7-3-1-4-8-15)18(22)14-23-13-16-9-5-2-6-10-16/h1-12,17-18,22H,13-14H2/b12-11+
InChIKeyVUFOFHSEEMRTKS-VAWYXSNFSA-N
MW309.37 g/mol
LogP3.96
Rot. Bonds8

About (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol

(E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol (PubChem CID 102162487) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol.

Molecular Properties

Compound Name(E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol
PubChem CID102162487
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol
SMILES[N-]=[N+]=NC(/C=C/c1ccccc1)C(O)COCc1ccccc1
InChIInChI=1S/C18H19N3O2/c19-21-20-17(12-11-15-7-3-1-4-8-15)18(22)14-23-13-16-9-5-2-6-10-16/h1-12,17-18,22H,13-14H2/b12-11+
InChIKeyVUFOFHSEEMRTKS-VAWYXSNFSA-N
XLogP3.96
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.96
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'}

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Related Compounds

(2S,3S,4E,6E)-7-phenyl-1-phenylmethoxyhepta-4,6-diene-2,3-diol
CID 10542988
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 102034824
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
CID 70426552
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol
CID 56946569
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926

Frequently Asked Questions

What is the IUPAC name of (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol?
The IUPAC name of (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol (CID 102162487) is (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol.
What is the SMILES notation for (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol?
The canonical SMILES for (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol is [N-]=[N+]=NC(/C=C/c1ccccc1)C(O)COCc1ccccc1.
What is the InChIKey of (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol?
The InChIKey is VUFOFHSEEMRTKS-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-21-20-17(12-11-15-7-3-1-4-8-15)18(22)14-23-13-16-9-5-2-6-10-16/h1-12,17-18,22H,13-14H2/b12-11+.
What are the key properties of (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol?
(E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol has a molecular weight of 309.37 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol is sourced from PubChem (CID 102162487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).