2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one

C20H17FN2O4 — CID 68892721

IUPAC2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
SMILESO=C(Cn1ncc(OCc2ccccc2)cc1=O)c1ccc(CO)c(F)c1
InChIInChI=1S/C20H17FN2O4/c21-18-8-15(6-7-16(18)12-24)19(25)11-23-20(26)9-17(10-22-23)27-13-14-4-2-1-3-5-14/h1-10,24H,11-13H2
InChIKeyGKCSAWDCMDKPBG-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.34
Rot. Bonds7

About 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one

2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one (PubChem CID 68892721) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
PubChem CID68892721
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
SMILESO=C(Cn1ncc(OCc2ccccc2)cc1=O)c1ccc(CO)c(F)c1
InChIInChI=1S/C20H17FN2O4/c21-18-8-15(6-7-16(18)12-24)19(25)11-23-20(26)9-17(10-22-23)27-13-14-4-2-1-3-5-14/h1-10,24H,11-13H2
InChIKeyGKCSAWDCMDKPBG-UHFFFAOYSA-N
XLogP2.34
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one
CID 58042826
1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042744
2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
CID 71730392
2-[2-[4-(2-bromoethyl)phenyl]-2-oxoethyl]-5-[(5-chloro-2-pyridinyl)methoxy]pyridazin-3-one
CID 174573607
3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one
CID 67007502
1-[2-(7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulen-3-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143632818
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143850273
2-[2-[4-(bromomethyl)-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one
CID 86695556
3-fluoro-4-(3-phenylpropoxymethyl)benzoic acid
CID 63073302
2-fluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol
CID 158646614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one?
The IUPAC name of 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one (CID 68892721) is 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one?
The canonical SMILES for 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one is O=C(Cn1ncc(OCc2ccccc2)cc1=O)c1ccc(CO)c(F)c1.
What is the InChIKey of 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one?
The InChIKey is GKCSAWDCMDKPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c21-18-8-15(6-7-16(18)12-24)19(25)11-23-20(26)9-17(10-22-23)27-13-14-4-2-1-3-5-14/h1-10,24H,11-13H2.
What are the key properties of 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one?
2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one has a molecular weight of 368.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 68892721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).