(4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one

C14H12N2O2 — CID 143781226

IUPAC(4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one
SMILESO=C1NN[C@@H](c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C14H12N2O2/c17-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)16-15-13/h1-8,13,15,17H,(H,16,18)/t13-/m0/s1
InChIKeyXAQRXJQLEJPCCS-ZDUSSCGKSA-N
MW240.26 g/mol
LogP1.73
Rot. Bonds1

About (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one

(4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one (PubChem CID 143781226) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name(4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one
PubChem CID143781226
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one
SMILESO=C1NN[C@@H](c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C14H12N2O2/c17-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)16-15-13/h1-8,13,15,17H,(H,16,18)/t13-/m0/s1
InChIKeyXAQRXJQLEJPCCS-ZDUSSCGKSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one?
The IUPAC name of (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one (CID 143781226) is (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one.
What is the SMILES notation for (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one?
The canonical SMILES for (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one is O=C1NN[C@@H](c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one?
The InChIKey is XAQRXJQLEJPCCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)16-15-13/h1-8,13,15,17H,(H,16,18)/t13-/m0/s1.
What are the key properties of (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one?
(4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one has a molecular weight of 240.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one is sourced from PubChem (CID 143781226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).