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

C19H13ClN2O2 — CID 144722100

IUPAC[2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)[nH]1
InChIInChI=1S/C19H13ClN2O2/c20-15-7-8-18(23)17(10-15)22-11-16(21-22)19(24)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,21,23H
InChIKeyPNESHWSYYYYKIG-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.55
Rot. Bonds3

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

[2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone (PubChem CID 144722100) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone
PubChem CID144722100
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name[2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)[nH]1
InChIInChI=1S/C19H13ClN2O2/c20-15-7-8-18(23)17(10-15)22-11-16(21-22)19(24)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,21,23H
InChIKeyPNESHWSYYYYKIG-UHFFFAOYSA-N
XLogP4.55
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone (CID 144722100) is [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)[nH]1.
What is the InChIKey of [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone?
The InChIKey is PNESHWSYYYYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-15-7-8-18(23)17(10-15)22-11-16(21-22)19(24)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,21,23H.
What are the key properties of [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone?
[2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone has a molecular weight of 336.78 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-hydroxyphenyl)-1H-diazet-4-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 144722100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).