[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol

C16H23N3O3 — CID 82205067

IUPAC[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol
SMILESCCCn1nnc(CO)c1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23N3O3/c1-4-9-19-14(13(11-20)17-18-19)7-5-12-6-8-15(21-2)16(10-12)22-3/h6,8,10,20H,4-5,7,9,11H2,1-3H3
InChIKeyDCTBTIWTZHIAOZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.98
Rot. Bonds8

About [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol

[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol (PubChem CID 82205067) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol
PubChem CID82205067
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol
SMILESCCCn1nnc(CO)c1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23N3O3/c1-4-9-19-14(13(11-20)17-18-19)7-5-12-6-8-15(21-2)16(10-12)22-3/h6,8,10,20H,4-5,7,9,11H2,1-3H3
InChIKeyDCTBTIWTZHIAOZ-UHFFFAOYSA-N
XLogP1.98
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol
CID 82207395
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine
CID 82207504
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
5-[(3,4-dimethoxyphenyl)methyl]-1-propyltriazole-4-carbaldehyde
CID 82205109
[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143
[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol
CID 82204190
[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
CID 82209233
3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
CID 82211554
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208301

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol?
The IUPAC name of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol (CID 82205067) is [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol?
The canonical SMILES for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol is CCCn1nnc(CO)c1CCc1ccc(OC)c(OC)c1.
What is the InChIKey of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol?
The InChIKey is DCTBTIWTZHIAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-9-19-14(13(11-20)17-18-19)7-5-12-6-8-15(21-2)16(10-12)22-3/h6,8,10,20H,4-5,7,9,11H2,1-3H3.
What are the key properties of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol?
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol has a molecular weight of 305.38 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82205067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).