3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol

C20H15N3O2 — CID 1419264

IUPAC3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol
SMILESOc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O2/c24-15-10-8-13(9-11-15)19-17-6-1-2-7-18(17)20(23-22-19)21-14-4-3-5-16(25)12-14/h1-12,24-25H,(H,21,23)
InChIKeyWXHYWPFNNWXWSR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

About 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol

3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol (PubChem CID 1419264) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol
PubChem CID1419264
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol
SMILESOc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O2/c24-15-10-8-13(9-11-15)19-17-6-1-2-7-18(17)20(23-22-19)21-14-4-3-5-16(25)12-14/h1-12,24-25H,(H,21,23)
InChIKeyWXHYWPFNNWXWSR-UHFFFAOYSA-N
XLogP4.45
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419391
4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 6407032
4-(4-((4-Methoxyphenyl)amino)phthalazin-1-yl)phenol
CID 1394168
N-(4-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}phenyl)acetamide
CID 1419995
4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
CID 5494639
4-[4-(Phenylamino)phthalazin-1-yl]phenol
CID 1416233
N,N-Diethyl-4-[4-(3-hydroxy-phenylamino)-phthalazin-1-yl]-benzamide
CID 1389349
4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 5494638
4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine
CID 17129186
N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine
CID 71541582
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
CID 127033203
1-(3-Methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea
CID 127033213

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol?
The IUPAC name of 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol (CID 1419264) is 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol?
The canonical SMILES for 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol is Oc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1.
What is the InChIKey of 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol?
The InChIKey is WXHYWPFNNWXWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-15-10-8-13(9-11-15)19-17-6-1-2-7-18(17)20(23-22-19)21-14-4-3-5-16(25)12-14/h1-12,24-25H,(H,21,23).
What are the key properties of 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol?
3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenol is sourced from PubChem (CID 1419264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).