7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one

C15H11ClN2O2 — CID 15358733

IUPAC7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(COc2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)15(19)18-17-14(12)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)
InChIKeyKIZRIUUAOCZGMN-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.16
Rot. Bonds3

About 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one

7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one (PubChem CID 15358733) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one
PubChem CID15358733
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(COc2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)15(19)18-17-14(12)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)
InChIKeyKIZRIUUAOCZGMN-UHFFFAOYSA-N
XLogP3.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
6-chloro-4-phenyl-2H-phthalazin-1-one
CID 134109277
3-(phenoxymethyl)-1H-cinnolin-4-one
CID 15195548
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one
CID 177366312
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543
6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline
CID 101176210
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
6-bromo-4-(phenylmethoxymethyl)-2H-phthalazin-1-one
CID 162363785
(4-oxo-3H-phthalazin-1-yl)methyl nitrate
CID 11775671
methyl 5-methyl-3-(phenoxymethyl)-1H-pyrazole-4-carboxylate
CID 2746179
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one?
The IUPAC name of 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one (CID 15358733) is 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one.
What is the SMILES notation for 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one?
The canonical SMILES for 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one is O=c1[nH]nc(COc2ccccc2)c2ccc(Cl)cc12.
What is the InChIKey of 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one?
The InChIKey is KIZRIUUAOCZGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)15(19)18-17-14(12)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19).
What are the key properties of 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one?
7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one has a molecular weight of 286.72 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one is sourced from PubChem (CID 15358733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).