2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one

C18H18N2O2 — CID 762564

IUPAC2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one
SMILESCc1ccc(OCCn2ncc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-13-7-8-17(14(2)11-13)22-10-9-20-18(21)16-6-4-3-5-15(16)12-19-20/h3-8,11-12H,9-10H2,1-2H3
InChIKeyDNVNEPWERZGWCB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one

2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one (PubChem CID 762564) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one
PubChem CID762564
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one
SMILESCc1ccc(OCCn2ncc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-13-7-8-17(14(2)11-13)22-10-9-20-18(21)16-6-4-3-5-15(16)12-19-20/h3-8,11-12H,9-10H2,1-2H3
InChIKeyDNVNEPWERZGWCB-UHFFFAOYSA-N
XLogP3.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]phthalazin-1-one
CID 56665357
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]phthalazin-1-one
CID 56668789
4-[(4-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937526
7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1(2H)-one
CID 661377
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]cyclohexanecarboxamide
CID 1502193
4-oxo-N-(2-phenoxyethyl)-3,4-dihydro-1-phthalazinecarboxamide
CID 1811567
4-[4-[3-(Azepan-1-yl)propoxy]phenyl]-2-methylphthalazin-1-one
CID 56665358
2-Methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phthalazin-1-one
CID 56668790
2-Methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one
CID 56682288
3-methyl-4-oxo-N-(2-phenoxyethyl)-3,4-dihydrophthalazine-1-carboxamide
CID 4822256
2-(2-phenoxyethyl)-1(2H)-phthalazinone
CID 803124
2-[4-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenoxy]acetamide
CID 941822

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one (CID 762564) is 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one is Cc1ccc(OCCn2ncc3ccccc3c2=O)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one?
The InChIKey is DNVNEPWERZGWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-7-8-17(14(2)11-13)22-10-9-20-18(21)16-6-4-3-5-15(16)12-19-20/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one?
2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenoxy)ethyl]phthalazin-1-one is sourced from PubChem (CID 762564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).