(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone

C34H26FNO3 — CID 10142536

IUPAC(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(/C=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CO
InChIInChI=1S/C34H26FNO3/c35-31-19-17-26(18-20-31)33(38)32-21-16-25(22-27(32)24-37)23-36-39-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23,37H,24H2/b36-23+
InChIKeyHKJJZYHKYHMFBY-GOJREDGKSA-N
MW515.58 g/mol
LogP6.89
Rot. Bonds9

About (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone

(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone (PubChem CID 10142536) has the molecular formula C34H26FNO3 and a molecular weight of 515.58 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone
PubChem CID10142536
Molecular FormulaC34H26FNO3
Molecular Weight515.58 g/mol
Exact Mass515.19
IUPAC Name(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(/C=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CO
InChIInChI=1S/C34H26FNO3/c35-31-19-17-26(18-20-31)33(38)32-21-16-25(22-27(32)24-37)23-36-39-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23,37H,24H2/b36-23+
InChIKeyHKJJZYHKYHMFBY-GOJREDGKSA-N
XLogP6.89
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 ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
CID 85327020
[2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol
CID 87868203
[6-[(4-Fluorophenyl)methyl]-3-(hydroxyiminomethyl)-2-tritylphenyl]methanol
CID 87868204
(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(Z)-trityloxyiminomethyl]phenyl]methanone
CID 88010384
(4-Fluorophenyl)-[4-(hydroxyiminomethyl)-2-(hydroxymethyl)-3-tritylphenyl]methanone
CID 88010385
(4-Fluorophenyl)-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanone
CID 91518917
(4-Fluorophenyl)-[4-(hydroxyiminomethyl)-2-(phenylmethoxymethyl)phenyl]methanone
CID 141064537
(4-Fluorophenyl)-[4-(hydroxyiminomethyl)-2-(trityloxymethyl)phenyl]methanone
CID 141064538
(4-Fluorophenyl)-[2-(hydroxymethyl)-4-(phenylmethoxyiminomethyl)phenyl]methanone
CID 141592407
[2-[(4-Fluorophenyl)methyl]-5-(trityloxyiminomethyl)phenyl]methanol
CID 145860779
[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-(trideuteriomethyl)carbonimidoyl]-2-ethylphenyl]methanol;ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate;2,2,2-trideuterio-1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone
CID 172927734
[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methanol;ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate;1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone
CID 172927735

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone (CID 10142536) is (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(/C=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CO.
What is the InChIKey of (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone?
The InChIKey is HKJJZYHKYHMFBY-GOJREDGKSA-N. The full InChI is InChI=1S/C34H26FNO3/c35-31-19-17-26(18-20-31)33(38)32-21-16-25(22-27(32)24-37)23-36-39-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-23,37H,24H2/b36-23+.
What are the key properties of (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone?
(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone has a molecular weight of 515.58 g/mol, XLogP of 6.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(hydroxymethyl)-4-[(E)-trityloxyiminomethyl]phenyl]methanone is sourced from PubChem (CID 10142536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).