4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one

C16H14N2O3 — CID 15358728

IUPAC4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
SMILESCOc1ccc(OCc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C16H14N2O3/c1-20-11-6-8-12(9-7-11)21-10-15-13-4-2-3-5-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVNMLACPQAWGZFS-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.51
Rot. Bonds4

About 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one

4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one (PubChem CID 15358728) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
PubChem CID15358728
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
SMILESCOc1ccc(OCc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C16H14N2O3/c1-20-11-6-8-12(9-7-11)21-10-15-13-4-2-3-5-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVNMLACPQAWGZFS-UHFFFAOYSA-N
XLogP2.51
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543
4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213715
7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one
CID 15358733
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
(4-oxo-3H-phthalazin-1-yl)methyl nitrate
CID 11775671
4-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-2H-phthalazin-1-one
CID 58188835
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 43996606
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
3-(phenoxymethyl)-1H-cinnolin-4-one
CID 15195548
N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2558717
7-amino-4-[(4-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 69152626

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one (CID 15358728) is 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one is COc1ccc(OCc2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one?
The InChIKey is VNMLACPQAWGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-11-6-8-12(9-7-11)21-10-15-13-4-2-3-5-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one?
4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one has a molecular weight of 282.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 15358728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).