1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene

C24H23F3O3 — CID 3067118

IUPAC1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H23F3O3/c1-24(2,18-6-10-21(11-7-18)30-23(26)27)16-28-15-17-4-3-5-22(14-17)29-20-12-8-19(25)9-13-20/h3-14,23H,15-16H2,1-2H3
InChIKeyVFDJYLNAYQDNOS-UHFFFAOYSA-N
MW416.44 g/mol
LogP6.71
Rot. Bonds9

About 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene

1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (PubChem CID 3067118) has the molecular formula C24H23F3O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
PubChem CID3067118
Molecular FormulaC24H23F3O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H23F3O3/c1-24(2,18-6-10-21(11-7-18)30-23(26)27)16-28-15-17-4-3-5-22(14-17)29-20-12-8-19(25)9-13-20/h3-14,23H,15-16H2,1-2H3
InChIKeyVFDJYLNAYQDNOS-UHFFFAOYSA-N
XLogP6.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Etofenprox
CID 71245
Silafluofen
CID 92430
Halfenprox
CID 10140464
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 2,13(or 2,14)-bis(1,1-dimethylethyl)-6,7,9,10,17,18,20,21-octahydro-
CID 169043
4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluoro-4'-propyl-1,1'-biphenyl
CID 20654145
Benzene, 1,1'-oxybis(4-(1,1,3,3-tetramethylbutyl)-
CID 66867
1-Phenoxy-4-phenylbenzene
CID 77986
trans-1-Butoxy-4-(4-propylcyclohexyl)benzene
CID 583799
1-Ethoxy-4-(4-propylcyclohexyl)benzene
CID 595182
Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-
CID 77333

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (CID 3067118) is 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is CC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The InChIKey is VFDJYLNAYQDNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O3/c1-24(2,18-6-10-21(11-7-18)30-23(26)27)16-28-15-17-4-3-5-22(14-17)29-20-12-8-19(25)9-13-20/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene has a molecular weight of 416.44 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is sourced from PubChem (CID 3067118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).