4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one

C18H18N2O2 — CID 82371112

IUPAC4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
SMILESCC(C)Oc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C18H18N2O2/c1-12(2)22-14-7-5-6-13(10-14)11-17-15-8-3-4-9-16(15)18(21)20-19-17/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyJPIGPGWKXBZVQW-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.30
Rot. Bonds4

About 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one

4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one (PubChem CID 82371112) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
PubChem CID82371112
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
SMILESCC(C)Oc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C18H18N2O2/c1-12(2)22-14-7-5-6-13(10-14)11-17-15-8-3-4-9-16(15)18(21)20-19-17/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyJPIGPGWKXBZVQW-UHFFFAOYSA-N
XLogP3.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 88987144
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide
CID 7185885
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 148786436
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 70806948
4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
CID 88999580
1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2H-isoquinoline-3-carboxamide
CID 56817985
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
4-benzyl-5-methoxy-2H-phthalazin-1-one
CID 58763958
2-[2-[N-fluoro-3-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-2-oxoethyl]dec-4-enoic acid
CID 173097782
4-[[3-(1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132256
ethane;4-[(3-ethenyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one;methanol
CID 145385826

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one (CID 82371112) is 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one is CC(C)Oc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one?
The InChIKey is JPIGPGWKXBZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(2)22-14-7-5-6-13(10-14)11-17-15-8-3-4-9-16(15)18(21)20-19-17/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one?
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 82371112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).