2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol

C11H12ClN3O — CID 56982974

IUPAC2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESOCC(Cc1ncn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c12-10-3-1-8(2-4-10)9(6-16)5-11-13-7-14-15-11/h1-4,7,9,16H,5-6H2,(H,13,14,15)
InChIKeyWOVOQTMZPJUHRV-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.78
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol

2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol (PubChem CID 56982974) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol
PubChem CID56982974
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESOCC(Cc1ncn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c12-10-3-1-8(2-4-10)9(6-16)5-11-13-7-14-15-11/h1-4,7,9,16H,5-6H2,(H,13,14,15)
InChIKeyWOVOQTMZPJUHRV-UHFFFAOYSA-N
XLogP1.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 96995614
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
5-[[2-[(4-chlorophenyl)-fluoromethyl]oxiran-2-yl]methyl]-1H-1,2,4-triazole
CID 54455620
1-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 113438644
2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822
(3R)-3-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid
CID 713272
2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79438146
2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044
3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol
CID 79437398
1-(3-chloro-4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884734
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 79437814
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol (CID 56982974) is 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol is OCC(Cc1ncn[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The InChIKey is WOVOQTMZPJUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-10-3-1-8(2-4-10)9(6-16)5-11-13-7-14-15-11/h1-4,7,9,16H,5-6H2,(H,13,14,15).
What are the key properties of 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol?
2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol has a molecular weight of 237.69 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-ol is sourced from PubChem (CID 56982974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).