1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

C24H24F2O3 — CID 3067125

IUPAC1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H24F2O3/c1-24(2,19-11-13-21(14-12-19)29-23(25)26)17-27-16-18-7-6-10-22(15-18)28-20-8-4-3-5-9-20/h3-15,23H,16-17H2,1-2H3
InChIKeyWYPFXTQJTZVUJS-UHFFFAOYSA-N
MW398.45 g/mol
LogP6.57
Rot. Bonds9

About 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 3067125) has the molecular formula C24H24F2O3 and a molecular weight of 398.45 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID3067125
Molecular FormulaC24H24F2O3
Molecular Weight398.45 g/mol
Exact Mass398.17
IUPAC Name1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H24F2O3/c1-24(2,19-11-13-21(14-12-19)29-23(25)26)17-27-16-18-7-6-10-22(15-18)28-20-8-4-3-5-9-20/h3-15,23H,16-17H2,1-2H3
InChIKeyWYPFXTQJTZVUJS-UHFFFAOYSA-N
XLogP6.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,1'-(Phenylmethylene)bis(4-methoxybenzene)
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Butyl beta-naphthyl ether
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CID 169043
4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluoro-4'-propyl-1,1'-biphenyl
CID 20654145
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
Benzene, 1,1'-oxybis(4-(1,1,3,3-tetramethylbutyl)-
CID 66867

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 3067125) is 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is WYPFXTQJTZVUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O3/c1-24(2,19-11-13-21(14-12-19)29-23(25)26)17-27-16-18-7-6-10-22(15-18)28-20-8-4-3-5-9-20/h3-15,23H,16-17H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene has a molecular weight of 398.45 g/mol, XLogP of 6.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3067125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).