[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone

C19H12ClN3O2 — CID 86296496

IUPAC[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)nn1
InChIInChI=1S/C19H12ClN3O2/c20-15-7-8-18(24)17(10-15)23-11-16(21-22-23)19(25)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,24H
InChIKeyNYELLLWEGMRGIK-UHFFFAOYSA-N
MW349.78 g/mol
LogP4.01
Rot. Bonds3

About [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone

[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone (PubChem CID 86296496) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
PubChem CID86296496
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC Name[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)nn1
InChIInChI=1S/C19H12ClN3O2/c20-15-7-8-18(24)17(10-15)23-11-16(21-22-23)19(25)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,24H
InChIKeyNYELLLWEGMRGIK-UHFFFAOYSA-N
XLogP4.01
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone (CID 86296496) is [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)nn1.
What is the InChIKey of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone?
The InChIKey is NYELLLWEGMRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-15-7-8-18(24)17(10-15)23-11-16(21-22-23)19(25)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,24H.
What are the key properties of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone?
[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone has a molecular weight of 349.78 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 86296496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).