3-(2-phenylethyl)-2H-phthalazine-1,4-dione

C16H14N2O2 — CID 1584

IUPAC3-(2-phenylethyl)-2H-phthalazine-1,4-dione
SMILESO=c1[nH]n(CCc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
InChIKeyJSSVIGGKHIJEHO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.93
Rot. Bonds3

About 3-(2-phenylethyl)-2H-phthalazine-1,4-dione

3-(2-phenylethyl)-2H-phthalazine-1,4-dione (PubChem CID 1584) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2-phenylethyl)-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-(2-phenylethyl)-2H-phthalazine-1,4-dione
PubChem CID1584
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(2-phenylethyl)-2H-phthalazine-1,4-dione
SMILESO=c1[nH]n(CCc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
InChIKeyJSSVIGGKHIJEHO-UHFFFAOYSA-N
XLogP1.93
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-2H-phthalazine-1,4-dione?
The IUPAC name of 3-(2-phenylethyl)-2H-phthalazine-1,4-dione (CID 1584) is 3-(2-phenylethyl)-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-(2-phenylethyl)-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-(2-phenylethyl)-2H-phthalazine-1,4-dione is O=c1[nH]n(CCc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-(2-phenylethyl)-2H-phthalazine-1,4-dione?
The InChIKey is JSSVIGGKHIJEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19).
What are the key properties of 3-(2-phenylethyl)-2H-phthalazine-1,4-dione?
3-(2-phenylethyl)-2H-phthalazine-1,4-dione has a molecular weight of 266.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-2H-phthalazine-1,4-dione is sourced from PubChem (CID 1584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).