4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol

C16H14ClN3O2 — CID 2952342

IUPAC4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1cc(Cl)ccc1OCc1nc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C16H14ClN3O2/c1-10-8-12(17)4-7-14(10)22-9-15-18-16(20-19-15)11-2-5-13(21)6-3-11/h2-8,21H,9H2,1H3,(H,18,19,20)
InChIKeyLHBZAQCGCIGQNQ-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.72
Rot. Bonds4

About 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol

4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 2952342) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID2952342
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1cc(Cl)ccc1OCc1nc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C16H14ClN3O2/c1-10-8-12(17)4-7-14(10)22-9-15-18-16(20-19-15)11-2-5-13(21)6-3-11/h2-8,21H,9H2,1H3,(H,18,19,20)
InChIKeyLHBZAQCGCIGQNQ-UHFFFAOYSA-N
XLogP3.72
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol with MolForge

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Related Compounds

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
CID 9551952
CID 9551952
5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole
CID 60650933
4-chloro-2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135400975
2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135987652
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole
CID 2108986
4-{3-[3-(2,4-dichlorophenoxy)propyl]-1H-1,2,4-triazol-5-yl}phenol
CID 2223148
4-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]chromen-2-one
CID 76326195
3-[(1S)-1-(4-chloro-2-methylphenoxy)ethyl]-5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 129610126
4-[[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]chromen-2-one
CID 136240164
3-(4-chloro-2-methoxyphenyl)-5-(methoxymethyl)-1H-1,2,4-triazole
CID 139017917

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol (CID 2952342) is 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol is Cc1cc(Cl)ccc1OCc1nc(-c2ccc(O)cc2)n[nH]1.
What is the InChIKey of 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is LHBZAQCGCIGQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-10-8-12(17)4-7-14(10)22-9-15-18-16(20-19-15)11-2-5-13(21)6-3-11/h2-8,21H,9H2,1H3,(H,18,19,20).
What are the key properties of 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol?
4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 315.76 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 2952342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).