[2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol

C34H28FNO2 — CID 87868203

IUPAC[2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol
SMILESOCc1cc(/C=N\OC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Cc1ccc(F)cc1
InChIInChI=1S/C34H28FNO2/c35-33-20-17-26(18-21-33)22-28-19-16-27(23-29(28)25-37)24-36-38-34(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-21,23-24,37H,22,25H2/b36-24-
InChIKeyVAFJKRYUOZADEK-IBTHDSTKSA-N
MW501.60 g/mol
LogP7.25
Rot. Bonds9

About [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol

[2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol (PubChem CID 87868203) has the molecular formula C34H28FNO2 and a molecular weight of 501.60 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol
PubChem CID87868203
Molecular FormulaC34H28FNO2
Molecular Weight501.60 g/mol
Exact Mass501.21
IUPAC Name[2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol
SMILESOCc1cc(/C=N\OC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Cc1ccc(F)cc1
InChIInChI=1S/C34H28FNO2/c35-33-20-17-26(18-21-33)22-28-19-16-27(23-29(28)25-37)24-36-38-34(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-21,23-24,37H,22,25H2/b36-24-
InChIKeyVAFJKRYUOZADEK-IBTHDSTKSA-N
XLogP7.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.60
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[2,3-Bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol
CID 70616566
(4-Fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
CID 85327020
4-(Dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]butan-1-ol
CID 85333039
[4-[2-[[4-Phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol
CID 87710316
[4-[2-[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol
CID 87710760
[6-[(4-Fluorophenyl)methyl]-3-(hydroxyiminomethyl)-2-tritylphenyl]methanol
CID 87868204
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-[(Z)-phenylmethoxyiminomethyl]phenyl]butan-1-ol
CID 87868257
1-[3-Benzyl-4-(hydroxyiminomethyl)-2-(hydroxymethyl)phenyl]-4-(dimethylamino)-1-(4-fluorophenyl)butan-1-ol
CID 87868258
4-(Dimethylamino)-1-(4-fluorophenyl)-1-[4-(hydroxyiminomethyl)-2-(hydroxymethyl)-3-tritylphenyl]butan-1-ol
CID 87868442
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-[(Z)-trityloxyiminomethyl]phenyl]butan-1-ol
CID 87868443
(4-fluorophenyl)-[2-(hydroxymethyl)-4-[(Z)-trityloxyiminomethyl]phenyl]methanone
CID 88010384
(4-Fluorophenyl)-[4-(hydroxyiminomethyl)-2-(hydroxymethyl)-3-tritylphenyl]methanone
CID 88010385

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol?
The IUPAC name of [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol (CID 87868203) is [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol is OCc1cc(/C=N\OC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Cc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol?
The InChIKey is VAFJKRYUOZADEK-IBTHDSTKSA-N. The full InChI is InChI=1S/C34H28FNO2/c35-33-20-17-26(18-21-33)22-28-19-16-27(23-29(28)25-37)24-36-38-34(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-21,23-24,37H,22,25H2/b36-24-.
What are the key properties of [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol?
[2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol has a molecular weight of 501.60 g/mol, XLogP of 7.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol is sourced from PubChem (CID 87868203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).