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

C34H26FNO3 — CID 141064538

IUPAC(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C=NO)cc1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26FNO3/c35-31-19-17-26(18-20-31)33(37)32-21-16-25(23-36-38)22-27(32)24-39-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23,38H,24H2
InChIKeyMQMYNWOBNJLQMH-UHFFFAOYSA-N
MW515.58 g/mol
LogP7.37
Rot. Bonds9

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

(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone (PubChem CID 141064538) has the molecular formula C34H26FNO3 and a molecular weight of 515.58 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone
PubChem CID141064538
Molecular FormulaC34H26FNO3
Molecular Weight515.58 g/mol
Exact Mass515.19
IUPAC Name(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C=NO)cc1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26FNO3/c35-31-19-17-26(18-20-31)33(37)32-21-16-25(23-36-38)22-27(32)24-39-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23,38H,24H2
InChIKeyMQMYNWOBNJLQMH-UHFFFAOYSA-N
XLogP7.37
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 57.37
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(E)-(3,5-difluorophenyl)methylideneamino]oxymethyl]-2-(2-methylphenyl)benzoate
CID 20649181
methyl 8-[2,6-difluoro-4-[(E)-hydroxyiminomethyl]phenyl]naphthalene-2-carboxylate
CID 58553757
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
(4-Fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone
CID 141064537
(4-Fluorophenyl)-[2-(hydroxymethyl)-4-(phenylmethoxyiminomethyl)phenyl]methanone
CID 141592407
(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone
CID 10142536
[4-[(E)-benzhydryloxyiminomethyl]-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone
CID 10274913
tert-butyl 4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoate
CID 58611877

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone (CID 141064538) is (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(C=NO)cc1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone?
The InChIKey is MQMYNWOBNJLQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26FNO3/c35-31-19-17-26(18-20-31)33(37)32-21-16-25(23-36-38)22-27(32)24-39-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23,38H,24H2.
What are the key properties of (4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone?
(4-fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone has a molecular weight of 515.58 g/mol, XLogP of 7.37, 9 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-(trityloxymethyl)phenyl]methanone is sourced from PubChem (CID 141064538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).