2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol

C19H21N3O2 — CID 167787496

IUPAC2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol
SMILESCOc1ccccc1-c1cn(C(C)C(O)c2ccc(C)cc2)nn1
InChIInChI=1S/C19H21N3O2/c1-13-8-10-15(11-9-13)19(23)14(2)22-12-17(20-21-22)16-6-4-5-7-18(16)24-3/h4-12,14,19,23H,1-3H3
InChIKeyDZGONHPRTQDPBL-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.56
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol

2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol (PubChem CID 167787496) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol
PubChem CID167787496
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol
SMILESCOc1ccccc1-c1cn(C(C)C(O)c2ccc(C)cc2)nn1
InChIInChI=1S/C19H21N3O2/c1-13-8-10-15(11-9-13)19(23)14(2)22-12-17(20-21-22)16-6-4-5-7-18(16)24-3/h4-12,14,19,23H,1-3H3
InChIKeyDZGONHPRTQDPBL-UHFFFAOYSA-N
XLogP3.56
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
CID 18078336
1-[4-(2-methoxyphenyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170821073
3-chloro-1-[4-(2-methoxyphenyl)phenyl]propane-1,2-diol
CID 171863230
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-bis(4-methylphenyl)ethanone
CID 112782350
2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360708
1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol
CID 112751510
4-ethyl-3-(2-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole
CID 47095919
1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859130
(1S)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 42187643
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773
2-(4-fluorophenyl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43040105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol (CID 167787496) is 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol is COc1ccccc1-c1cn(C(C)C(O)c2ccc(C)cc2)nn1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is DZGONHPRTQDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-8-10-15(11-9-13)19(23)14(2)22-12-17(20-21-22)16-6-4-5-7-18(16)24-3/h4-12,14,19,23H,1-3H3.
What are the key properties of 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol?
2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 323.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 167787496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).