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

C12H15N3O2 — CID 23047682

IUPAC1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ncn[nH]2)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11-4-2-9(3-5-11)6-10(16)7-12-13-8-14-15-12/h2-5,8,10,16H,6-7H2,1H3,(H,13,14,15)
InChIKeyYSMIDXNVSACATG-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.96
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol (PubChem CID 23047682) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol
PubChem CID23047682
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ncn[nH]2)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11-4-2-9(3-5-11)6-10(16)7-12-13-8-14-15-12/h2-5,8,10,16H,6-7H2,1H3,(H,13,14,15)
InChIKeyYSMIDXNVSACATG-UHFFFAOYSA-N
XLogP0.96
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
N-[(4-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545961
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
5-[4-[(4-methoxyphenyl)methylsulfanyl]butyl]-1H-1,2,4-triazole
CID 70150114
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol (CID 23047682) is 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol is COc1ccc(CC(O)Cc2ncn[nH]2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The InChIKey is YSMIDXNVSACATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-11-4-2-9(3-5-11)6-10(16)7-12-13-8-14-15-12/h2-5,8,10,16H,6-7H2,1H3,(H,13,14,15).
What are the key properties of 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol?
1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol has a molecular weight of 233.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol is sourced from PubChem (CID 23047682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).