[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol

C14H19N3O3 — CID 82197872

IUPAC[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1-c1ccc(OC)cc1OC
InChIInChI=1S/C14H19N3O3/c1-4-5-12-11(9-18)15-16-17(12)13-7-6-10(19-2)8-14(13)20-3/h6-8,18H,4-5,9H2,1-3H3
InChIKeyMSXQDNIOQVBGEK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds6

About [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol

[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol (PubChem CID 82197872) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
PubChem CID82197872
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1-c1ccc(OC)cc1OC
InChIInChI=1S/C14H19N3O3/c1-4-5-12-11(9-18)15-16-17(12)13-7-6-10(19-2)8-14(13)20-3/h6-8,18H,4-5,9H2,1-3H3
InChIKeyMSXQDNIOQVBGEK-UHFFFAOYSA-N
XLogP1.73
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
CID 82197565
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197909
5-butyl-1-(2,4-dimethoxyphenyl)triazole-4-carbonitrile
CID 82197876
[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94938175
1-(2,5-dimethoxyphenyl)-5-propyltriazole-4-carbonitrile
CID 82198630
[1-(4-chloro-2,5-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanol
CID 82197279
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
CID 82199899
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82197918
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 125478406

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol?
The IUPAC name of [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol (CID 82197872) is [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol?
The canonical SMILES for [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol is CCCc1c(CO)nnn1-c1ccc(OC)cc1OC.
What is the InChIKey of [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol?
The InChIKey is MSXQDNIOQVBGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-5-12-11(9-18)15-16-17(12)13-7-6-10(19-2)8-14(13)20-3/h6-8,18H,4-5,9H2,1-3H3.
What are the key properties of [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol?
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol has a molecular weight of 277.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82197872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).