3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol

C19H19ClN4O2 — CID 54527494

IUPAC3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(=NOCc1ccc(Cl)cc1)C(O)(Cn1cncn1)c1ccccc1
InChIInChI=1S/C19H19ClN4O2/c1-15(23-26-11-16-7-9-18(20)10-8-16)19(25,12-24-14-21-13-22-24)17-5-3-2-4-6-17/h2-10,13-14,25H,11-12H2,1H3
InChIKeyYUDPQGPYMHUPSN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.41
Rot. Bonds7

About 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol

3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 54527494) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID54527494
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(=NOCc1ccc(Cl)cc1)C(O)(Cn1cncn1)c1ccccc1
InChIInChI=1S/C19H19ClN4O2/c1-15(23-26-11-16-7-9-18(20)10-8-16)19(25,12-24-14-21-13-22-24)17-5-3-2-4-6-17/h2-10,13-14,25H,11-12H2,1H3
InChIKeyYUDPQGPYMHUPSN-UHFFFAOYSA-N
XLogP3.41
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dichlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54562193
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 22905746
(2S)-1,2-bis(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
CID 11233774
3-[(3,4-dichlorophenyl)methoxyamino]-2-phenyl-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 57118863
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
1-(4-chlorophenyl)-1-(1-phenylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 68954467
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide
CID 19956965
1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782950
(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 40634096
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70447957

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 54527494) is 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(=NOCc1ccc(Cl)cc1)C(O)(Cn1cncn1)c1ccccc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is YUDPQGPYMHUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-15(23-26-11-16-7-9-18(20)10-8-16)19(25,12-24-14-21-13-22-24)17-5-3-2-4-6-17/h2-10,13-14,25H,11-12H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 370.84 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 54527494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).