4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol

C24H24Cl2FO4P — CID 68957549

IUPAC4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol
SMILESCCOP(C)(=O)COc1cc(Cl)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C24H24Cl2FO4P/c1-3-31-32(2,29)15-30-20-13-22(25)21(23(26)14-20)12-17-6-9-24(28)18(11-17)10-16-4-7-19(27)8-5-16/h4-9,11,13-14,28H,3,10,12,15H2,1-2H3
InChIKeyZNZWTWJZPGQKSQ-UHFFFAOYSA-N
MW497.33 g/mol
LogP7.30
Rot. Bonds9

About 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol

4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol (PubChem CID 68957549) has the molecular formula C24H24Cl2FO4P and a molecular weight of 497.33 g/mol. Its IUPAC name is 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol
PubChem CID68957549
Molecular FormulaC24H24Cl2FO4P
Molecular Weight497.33 g/mol
Exact Mass496.08
IUPAC Name4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol
SMILESCCOP(C)(=O)COc1cc(Cl)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C24H24Cl2FO4P/c1-3-31-32(2,29)15-30-20-13-22(25)21(23(26)14-20)12-17-6-9-24(28)18(11-17)10-16-4-7-19(27)8-5-16/h4-9,11,13-14,28H,3,10,12,15H2,1-2H3
InChIKeyZNZWTWJZPGQKSQ-UHFFFAOYSA-N
XLogP7.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.33
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[[(2R,4S)-4-(3,5-dichlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 44589225
4-[2-[(2,6-Dichlorophenyl)methoxy]-5-prop-2-enylphenyl]-2-prop-2-enylphenol
CID 156010492
2-[4-[(2,6-Dichlorophenyl)methoxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 156013787
[3,5-Dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenoxy]methyl-methoxyphosphinic acid
CID 11998091
[3,5-Dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenoxy]methyl-methylphosphinic acid
CID 11999910
[3,5-Dichloro-4-[(4-fluoro-3-propan-2-ylphenyl)methyl]phenoxy]methylphosphonic acid
CID 15942272
[3,5-Dichloro-4-[(4-fluoro-3-propan-2-ylphenyl)methyl]phenoxy]methyl-methylphosphinic acid
CID 57629223
4-[[2,6-Dichloro-4-[[methoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 57629229
2-[3,5-Dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethyl)phenyl]methyl]phenoxy]propan-2-ylphosphonic acid
CID 68529551
3,5-Dichloro-4-[3'-(4-fluorobenzyl)-4'-methoxymethoxybenzyl]phenol
CID 68532630
2-[3,5-Dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenoxy]ethyl-hydroxy-oxophosphanium
CID 68532850
2-[3,5-Dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenoxy]ethylphosphonic acid
CID 68534103

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol?
The IUPAC name of 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol (CID 68957549) is 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol.
What is the SMILES notation for 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol?
The canonical SMILES for 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol is CCOP(C)(=O)COc1cc(Cl)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1.
What is the InChIKey of 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol?
The InChIKey is ZNZWTWJZPGQKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2FO4P/c1-3-31-32(2,29)15-30-20-13-22(25)21(23(26)14-20)12-17-6-9-24(28)18(11-17)10-16-4-7-19(27)8-5-16/h4-9,11,13-14,28H,3,10,12,15H2,1-2H3.
What are the key properties of 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol?
4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol has a molecular weight of 497.33 g/mol, XLogP of 7.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol is sourced from PubChem (CID 68957549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).