phenol;2H-phthalazin-1-one

C20H18N2O3 — CID 175459904

IUPACphenol;2H-phthalazin-1-one
SMILESO=c1[nH]ncc2ccccc12.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H6N2O.2C6H6O/c11-8-7-4-2-1-3-6(7)5-9-10-8;2*7-6-4-2-1-3-5-6/h1-5H,(H,10,11);2*1-5,7H
InChIKeyLQNQHGXZDDVJRF-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.71
Rot. Bonds

About phenol;2H-phthalazin-1-one

phenol;2H-phthalazin-1-one (PubChem CID 175459904) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is phenol;2H-phthalazin-1-one.

Molecular Properties

Compound Namephenol;2H-phthalazin-1-one
PubChem CID175459904
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namephenol;2H-phthalazin-1-one
SMILESO=c1[nH]ncc2ccccc12.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H6N2O.2C6H6O/c11-8-7-4-2-1-3-6(7)5-9-10-8;2*7-6-4-2-1-3-5-6/h1-5H,(H,10,11);2*1-5,7H
InChIKeyLQNQHGXZDDVJRF-UHFFFAOYSA-N
XLogP3.71
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenol;2H-phthalazin-1-one?
The IUPAC name of phenol;2H-phthalazin-1-one (CID 175459904) is phenol;2H-phthalazin-1-one.
What is the SMILES notation for phenol;2H-phthalazin-1-one?
The canonical SMILES for phenol;2H-phthalazin-1-one is O=c1[nH]ncc2ccccc12.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;2H-phthalazin-1-one?
The InChIKey is LQNQHGXZDDVJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.2C6H6O/c11-8-7-4-2-1-3-6(7)5-9-10-8;2*7-6-4-2-1-3-5-6/h1-5H,(H,10,11);2*1-5,7H.
What are the key properties of phenol;2H-phthalazin-1-one?
phenol;2H-phthalazin-1-one has a molecular weight of 334.38 g/mol, XLogP of 3.71, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;2H-phthalazin-1-one is sourced from PubChem (CID 175459904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).