(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone

C22H18FNO3 — CID 141064537

IUPAC(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C=NO)cc1COCc1ccccc1
InChIInChI=1S/C22H18FNO3/c23-20-9-7-18(8-10-20)22(25)21-11-6-17(13-24-26)12-19(21)15-27-14-16-4-2-1-3-5-16/h1-13,26H,14-15H2
InChIKeySGRNKUQDCNTTQZ-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.58
Rot. Bonds7

About (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone

(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone (PubChem CID 141064537) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone
PubChem CID141064537
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C=NO)cc1COCc1ccccc1
InChIInChI=1S/C22H18FNO3/c23-20-9-7-18(8-10-20)22(25)21-11-6-17(13-24-26)12-19(21)15-27-14-16-4-2-1-3-5-16/h1-13,26H,14-15H2
InChIKeySGRNKUQDCNTTQZ-UHFFFAOYSA-N
XLogP4.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(E)-(3,5-difluorophenyl)methylideneamino]oxymethyl]-2-(2-methylphenyl)benzoate
CID 20649181
(3S)-1-[3-(2-fluoro-4-methylphenyl)-5-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-(4H-pyrazol-3-yl)butan-1-one
CID 58095940
1-[3-(2-Fluoro-4-methylphenyl)-5-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-2-(oxolan-3-yl)ethanone
CID 58095972
methyl 8-[2,6-difluoro-4-[(E)-hydroxyiminomethyl]phenyl]naphthalene-2-carboxylate
CID 58553757
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone
CID 66635808
Methyl 4-[[(3,5-difluorophenyl)methylideneamino]oxymethyl]-2-(2-methylphenyl)benzoate
CID 73692425
Methyl 8-{2,6-difluoro-4-[(hydroxyimino)methyl]phenyl}-2-naphthalene carboxylate
CID 76828106
(4-Fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
CID 85327020
(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(Z)-trityloxyiminomethyl]phenyl]methanone
CID 88010384
(4-Fluorophenyl)-[4-(hydroxyiminomethyl)-2-(hydroxymethyl)-3-tritylphenyl]methanone
CID 88010385
1-[2,5-difluoro-4-[N-[2-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]prop-2-enyl]-C-methylcarbonimidoyl]phenyl]ethanone
CID 89191569
(4-Fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone
CID 141064538

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone (CID 141064537) is (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(C=NO)cc1COCc1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone?
The InChIKey is SGRNKUQDCNTTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c23-20-9-7-18(8-10-20)22(25)21-11-6-17(13-24-26)12-19(21)15-27-14-16-4-2-1-3-5-16/h1-13,26H,14-15H2.
What are the key properties of (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone?
(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone has a molecular weight of 363.39 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone is sourced from PubChem (CID 141064537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).