4-(4-anilinophthalazin-1-yl)phenol

C20H15N3O — CID 1416233

IUPAC4-(4-anilinophthalazin-1-yl)phenol
SMILESOc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O/c24-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)20(23-22-19)21-15-6-2-1-3-7-15/h1-13,24H,(H,21,23)
InChIKeyCMTXKPAYLLOKLQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.75
Rot. Bonds3

About 4-(4-anilinophthalazin-1-yl)phenol

4-(4-anilinophthalazin-1-yl)phenol (PubChem CID 1416233) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(4-anilinophthalazin-1-yl)phenol.

Molecular Properties

Compound Name4-(4-anilinophthalazin-1-yl)phenol
PubChem CID1416233
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-(4-anilinophthalazin-1-yl)phenol
SMILESOc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O/c24-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)20(23-22-19)21-15-6-2-1-3-7-15/h1-13,24H,(H,21,23)
InChIKeyCMTXKPAYLLOKLQ-UHFFFAOYSA-N
XLogP4.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinophthalazin-1-yl)phenol?
The IUPAC name of 4-(4-anilinophthalazin-1-yl)phenol (CID 1416233) is 4-(4-anilinophthalazin-1-yl)phenol.
What is the SMILES notation for 4-(4-anilinophthalazin-1-yl)phenol?
The canonical SMILES for 4-(4-anilinophthalazin-1-yl)phenol is Oc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-anilinophthalazin-1-yl)phenol?
The InChIKey is CMTXKPAYLLOKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)20(23-22-19)21-15-6-2-1-3-7-15/h1-13,24H,(H,21,23).
What are the key properties of 4-(4-anilinophthalazin-1-yl)phenol?
4-(4-anilinophthalazin-1-yl)phenol has a molecular weight of 313.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinophthalazin-1-yl)phenol is sourced from PubChem (CID 1416233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).