1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

C19H21N3O4 — CID 13391690

IUPAC1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESCOc1ccc(C(O)C(O)(Cn2cncn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21N3O4/c1-25-16-7-3-14(4-8-16)18(23)19(24,11-22-13-20-12-21-22)15-5-9-17(26-2)10-6-15/h3-10,12-13,18,23-24H,11H2,1-2H3
InChIKeyZJADLCCOVDWBCP-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.92
Rot. Bonds7

About 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (PubChem CID 13391690) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
PubChem CID13391690
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESCOc1ccc(C(O)C(O)(Cn2cncn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21N3O4/c1-25-16-7-3-14(4-8-16)18(23)19(24,11-22-13-20-12-21-22)15-5-9-17(26-2)10-6-15/h3-10,12-13,18,23-24H,11H2,1-2H3
InChIKeyZJADLCCOVDWBCP-UHFFFAOYSA-N
XLogP1.92
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 10756992
1,1-dimethoxy-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 13491628
1,1-difluoro-2-[4-(4-fluorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70351077
1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 150440123
(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
CID 10313850
(2R,3S)-3-(4-methoxyphenyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
CID 97230919
2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68910140
2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol
CID 103449306
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
(2R,3R)-2-(2,4-difluorophenyl)-3-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 167434938
methyl 2-[2-chloro-4-(4-methoxyphenoxy)phenyl]-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 142588665
(2R,3R)-2-(4-chlorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10712647

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The IUPAC name of 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (CID 13391690) is 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is COc1ccc(C(O)C(O)(Cn2cncn2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The InChIKey is ZJADLCCOVDWBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-25-16-7-3-14(4-8-16)18(23)19(24,11-22-13-20-12-21-22)15-5-9-17(26-2)10-6-15/h3-10,12-13,18,23-24H,11H2,1-2H3.
What are the key properties of 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol has a molecular weight of 355.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 13391690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).