2-chloro-4-phthalazin-1-ylphenol

C14H9ClN2O — CID 150345574

IUPAC2-chloro-4-phthalazin-1-ylphenol
SMILESOc1ccc(-c2nncc3ccccc23)cc1Cl
InChIInChI=1S/C14H9ClN2O/c15-12-7-9(5-6-13(12)18)14-11-4-2-1-3-10(11)8-16-17-14/h1-8,18H
InChIKeyGSPYOOUQQSZRMH-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.66
Rot. Bonds1

About 2-chloro-4-phthalazin-1-ylphenol

2-chloro-4-phthalazin-1-ylphenol (PubChem CID 150345574) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-4-phthalazin-1-ylphenol.

Molecular Properties

Compound Name2-chloro-4-phthalazin-1-ylphenol
PubChem CID150345574
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name2-chloro-4-phthalazin-1-ylphenol
SMILESOc1ccc(-c2nncc3ccccc23)cc1Cl
InChIInChI=1S/C14H9ClN2O/c15-12-7-9(5-6-13(12)18)14-11-4-2-1-3-10(11)8-16-17-14/h1-8,18H
InChIKeyGSPYOOUQQSZRMH-UHFFFAOYSA-N
XLogP3.66
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phthalazin-1-ylphenol?
The IUPAC name of 2-chloro-4-phthalazin-1-ylphenol (CID 150345574) is 2-chloro-4-phthalazin-1-ylphenol.
What is the SMILES notation for 2-chloro-4-phthalazin-1-ylphenol?
The canonical SMILES for 2-chloro-4-phthalazin-1-ylphenol is Oc1ccc(-c2nncc3ccccc23)cc1Cl.
What is the InChIKey of 2-chloro-4-phthalazin-1-ylphenol?
The InChIKey is GSPYOOUQQSZRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-7-9(5-6-13(12)18)14-11-4-2-1-3-10(11)8-16-17-14/h1-8,18H.
What are the key properties of 2-chloro-4-phthalazin-1-ylphenol?
2-chloro-4-phthalazin-1-ylphenol has a molecular weight of 256.69 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phthalazin-1-ylphenol is sourced from PubChem (CID 150345574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).