2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol

C14H19N3O2 — CID 114686339

IUPAC2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)Cc1ccccc1OC
InChIInChI=1S/C14H19N3O2/c1-3-8-17-12(10-15-16-17)13(18)9-11-6-4-5-7-14(11)19-2/h4-7,10,13,18H,3,8-9H2,1-2H3
InChIKeyFGHRMAVPALAIMJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.97
Rot. Bonds6

About 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol

2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 114686339) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
PubChem CID114686339
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)Cc1ccccc1OC
InChIInChI=1S/C14H19N3O2/c1-3-8-17-12(10-15-16-17)13(18)9-11-6-4-5-7-14(11)19-2/h4-7,10,13,18H,3,8-9H2,1-2H3
InChIKeyFGHRMAVPALAIMJ-UHFFFAOYSA-N
XLogP1.97
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686351
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114686864
2-(3-bromophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686324
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556975
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 115834072
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
2-(2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66272470

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol (CID 114686339) is 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(O)Cc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is FGHRMAVPALAIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-8-17-12(10-15-16-17)13(18)9-11-6-4-5-7-14(11)19-2/h4-7,10,13,18H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol?
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 261.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).