1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol

C16H17N3O2 — CID 107046182

IUPAC1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCOc1ccc(C(O)Cc2cn(C)nn2)c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-19-10-11(17-18-19)9-15(20)13-7-8-16(21-2)14-6-4-3-5-12(13)14/h3-8,10,15,20H,9H2,1-2H3
InChIKeyCIZLPIIOQSXDCC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107046182) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107046182
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCOc1ccc(C(O)Cc2cn(C)nn2)c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-19-10-11(17-18-19)9-15(20)13-7-8-16(21-2)14-6-4-3-5-12(13)14/h3-8,10,15,20H,9H2,1-2H3
InChIKeyCIZLPIIOQSXDCC-UHFFFAOYSA-N
XLogP2.25
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048060
1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066553
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713
(1S)-1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81397730
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107046182) is 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol is COc1ccc(C(O)Cc2cn(C)nn2)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is CIZLPIIOQSXDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-10-11(17-18-19)9-15(20)13-7-8-16(21-2)14-6-4-3-5-12(13)14/h3-8,10,15,20H,9H2,1-2H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 283.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107046182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).