2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol

C16H17N3O2 — CID 141242377

IUPAC2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol
SMILESCOc1ccc2cc(C(C)(O)Cn3ccnn3)ccc2c1
InChIInChI=1S/C16H17N3O2/c1-16(20,11-19-8-7-17-18-19)14-5-3-13-10-15(21-2)6-4-12(13)9-14/h3-10,20H,11H2,1-2H3
InChIKeyWCELZZKGGOLKAI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.35
Rot. Bonds4

About 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol

2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol (PubChem CID 141242377) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol
PubChem CID141242377
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol
SMILESCOc1ccc2cc(C(C)(O)Cn3ccnn3)ccc2c1
InChIInChI=1S/C16H17N3O2/c1-16(20,11-19-8-7-17-18-19)14-5-3-13-10-15(21-2)6-4-12(13)9-14/h3-10,20H,11H2,1-2H3
InChIKeyWCELZZKGGOLKAI-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol (CID 141242377) is 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol is COc1ccc2cc(C(C)(O)Cn3ccnn3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol?
The InChIKey is WCELZZKGGOLKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(20,11-19-8-7-17-18-19)14-5-3-13-10-15(21-2)6-4-12(13)9-14/h3-10,20H,11H2,1-2H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol?
2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-1-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 141242377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).