1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate

C18H18F2O4 — CID 60589371

IUPAC1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)OC(C)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H18F2O4/c1-12(13-8-10-15(11-9-13)24-18(19)20)23-17(21)16(22-2)14-6-4-3-5-7-14/h3-12,16,18H,1-2H3
InChIKeyZRGYSGCOGMWMHT-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.28
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate

1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate (PubChem CID 60589371) has the molecular formula C18H18F2O4 and a molecular weight of 336.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate
PubChem CID60589371
Molecular FormulaC18H18F2O4
Molecular Weight336.33 g/mol
Exact Mass336.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)OC(C)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H18F2O4/c1-12(13-8-10-15(11-9-13)24-18(19)20)23-17(21)16(22-2)14-6-4-3-5-7-14/h3-12,16,18H,1-2H3
InChIKeyZRGYSGCOGMWMHT-UHFFFAOYSA-N
XLogP4.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(2-bromophenyl)ethyl] (2S)-2-methoxy-2-phenylacetate
CID 10066387
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 97191713
1-phenylethyl 3-amino-2-hydroxypropanoate
CID 66164983
(2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoic acid
CID 13118566
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
CID 93311120
[(2S,3R)-3-[(2R)-2-methoxy-2-phenylacetyl]oxyheptan-2-yl] (2R)-2-methoxy-2-phenylacetate
CID 11418945
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
(2S,3R)-3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-methylpropanoic acid
CID 94426491
[(1R,2S)-1-[(2S)-2-methoxy-2-phenylacetyl]oxy-1-(2,4,5-trimethoxyphenyl)propan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 11191919

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate (CID 60589371) is 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate is COC(C(=O)OC(C)c1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate?
The InChIKey is ZRGYSGCOGMWMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O4/c1-12(13-8-10-15(11-9-13)24-18(19)20)23-17(21)16(22-2)14-6-4-3-5-7-14/h3-12,16,18H,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate?
1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate has a molecular weight of 336.33 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate is sourced from PubChem (CID 60589371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).