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

C34H26FNO3 — CID 85327020

IUPAC(4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C=NOC(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
InChIKeyHKJJZYHKYHMFBY-UHFFFAOYSA-N
MW515.58 g/mol
LogP6.89
Rot. Bonds9

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

(4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone (PubChem CID 85327020) has the molecular formula C34H26FNO3 and a molecular weight of 515.58 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
PubChem CID85327020
Molecular FormulaC34H26FNO3
Molecular Weight515.58 g/mol
Exact Mass515.19
IUPAC Name(4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C=NOC(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
InChIKeyHKJJZYHKYHMFBY-UHFFFAOYSA-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'}

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Related Compounds

[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone
CID 58785106
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
(E)-1-phenyl-N-trityloxymethanimine
CID 5382595
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
3-(4-fluorophenyl)-N-trityloxypropan-1-imine
CID 163288846
5-[(Z)-trityloxyiminomethyl]-3H-2-benzofuran-1-one
CID 87868292
2-trityloxyiminoethanethioic S-acid
CID 87515774
(4-fluorophenyl)-phenylmethanone
CID 161464622
[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite
CID 142226564
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone (CID 85327020) is (4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(C=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CO.
What is the InChIKey of (4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone?
The InChIKey is HKJJZYHKYHMFBY-UHFFFAOYSA-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.
What are the key properties of (4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone?
(4-fluorophenyl)-[2-(hydroxymethyl)-4-(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-(trityloxyiminomethyl)phenyl]methanone is sourced from PubChem (CID 85327020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).