4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol

C21H19N3O2 — CID 142449912

IUPAC4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol
SMILESCOc1ccc2cc(-c3cn(CCc4ccc(O)cc4)nn3)ccc2c1
InChIInChI=1S/C21H19N3O2/c1-26-20-9-6-16-12-18(5-4-17(16)13-20)21-14-24(23-22-21)11-10-15-2-7-19(25)8-3-15/h2-9,12-14,25H,10-11H2,1H3
InChIKeyBMAGBFZPMQKTLH-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.06
Rot. Bonds5

About 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol

4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol (PubChem CID 142449912) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol
PubChem CID142449912
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol
SMILESCOc1ccc2cc(-c3cn(CCc4ccc(O)cc4)nn3)ccc2c1
InChIInChI=1S/C21H19N3O2/c1-26-20-9-6-16-12-18(5-4-17(16)13-20)21-14-24(23-22-21)11-10-15-2-7-19(25)8-3-15/h2-9,12-14,25H,10-11H2,1H3
InChIKeyBMAGBFZPMQKTLH-UHFFFAOYSA-N
XLogP4.06
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol (CID 142449912) is 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol is COc1ccc2cc(-c3cn(CCc4ccc(O)cc4)nn3)ccc2c1.
What is the InChIKey of 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol?
The InChIKey is BMAGBFZPMQKTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-20-9-6-16-12-18(5-4-17(16)13-20)21-14-24(23-22-21)11-10-15-2-7-19(25)8-3-15/h2-9,12-14,25H,10-11H2,1H3.
What are the key properties of 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol?
4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol has a molecular weight of 345.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol is sourced from PubChem (CID 142449912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).