2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione

C18H18N2O4 — CID 10853560

IUPAC2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione
SMILESO=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCOCCO
InChIInChI=1S/C18H18N2O4/c21-11-13-24-12-10-19-17(22)15-8-4-5-9-16(15)18(23)20(19)14-6-2-1-3-7-14/h1-9,21H,10-13H2
InChIKeyVPCWVCQJUGJDBN-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.16
Rot. Bonds6

About 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione

2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione (PubChem CID 10853560) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione
PubChem CID10853560
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione
SMILESO=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCOCCO
InChIInChI=1S/C18H18N2O4/c21-11-13-24-12-10-19-17(22)15-8-4-5-9-16(15)18(23)20(19)14-6-2-1-3-7-14/h1-9,21H,10-13H2
InChIKeyVPCWVCQJUGJDBN-UHFFFAOYSA-N
XLogP1.16
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione
CID 43949881
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one
CID 62849613
2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phthalazine-1,4-dione;dihydrate;dihydrochloride
CID 2755062
bis(2,6-bis[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone);naphthalene-1,5-diamine
CID 139123790
1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one
CID 13122080
2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one
CID 139231441
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
CID 118332419
6-(2-propoxyethyl)benzo[d][2]benzazepine-5,7-dione
CID 58822025
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
3-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide
CID 25141687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione (CID 10853560) is 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione is O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione?
The InChIKey is VPCWVCQJUGJDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-11-13-24-12-10-19-17(22)15-8-4-5-9-16(15)18(23)20(19)14-6-2-1-3-7-14/h1-9,21H,10-13H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione?
2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione has a molecular weight of 326.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl]-3-phenylphthalazine-1,4-dione is sourced from PubChem (CID 10853560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).