2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol

C16H12ClN3O — CID 5294235

IUPAC2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(/C=C/c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12ClN3O/c17-12-8-5-11(6-9-12)7-10-15-18-16(20-19-15)13-3-1-2-4-14(13)21/h1-10,21H,(H,18,19,20)/b10-7+
InChIKeyFWVBIBBFANNCGF-JXMROGBWSA-N
MW297.75 g/mol
LogP4.00
Rot. Bonds3

About 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol

2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 5294235) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID5294235
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(/C=C/c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12ClN3O/c17-12-8-5-11(6-9-12)7-10-15-18-16(20-19-15)13-3-1-2-4-14(13)21/h1-10,21H,(H,18,19,20)/b10-7+
InChIKeyFWVBIBBFANNCGF-JXMROGBWSA-N
XLogP4.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol 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

(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenol
CID 135465949
4-chloro-2-(1H-[1,2,4]triazol-3-yl)-phenol
CID 136163388
4-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl}phenol
CID 2850610
2-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-2H-[1,2,4]triazol-3-yl}-phenol
CID 135498001
4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 135449099
4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 155527131
4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
CID 155554294
2-{3-[(E)-2-(2-chlorophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
CID 5293994
2-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 135649820
4-chloro-2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135400975

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol (CID 5294235) is 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1n[nH]c(/C=C/c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is FWVBIBBFANNCGF-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-8-5-11(6-9-12)7-10-15-18-16(20-19-15)13-3-1-2-4-14(13)21/h1-10,21H,(H,18,19,20)/b10-7+.
What are the key properties of 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 297.75 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 5294235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).