[2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate

C22H24F2O4 — CID 138567359

IUPAC[2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC)Cc1ccc(-c2ccc(OC)cc2F)cc1F
InChIInChI=1S/C22H24F2O4/c1-14(2)22(25)28-13-15(12-26-3)9-17-6-5-16(10-20(17)23)19-8-7-18(27-4)11-21(19)24/h5-8,10-11,15H,1,9,12-13H2,2-4H3
InChIKeySSANEDIXQBQSOZ-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.56
Rot. Bonds9

About [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate

[2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate (PubChem CID 138567359) has the molecular formula C22H24F2O4 and a molecular weight of 390.43 g/mol. Its IUPAC name is [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate
PubChem CID138567359
Molecular FormulaC22H24F2O4
Molecular Weight390.43 g/mol
Exact Mass390.16
IUPAC Name[2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC)Cc1ccc(-c2ccc(OC)cc2F)cc1F
InChIInChI=1S/C22H24F2O4/c1-14(2)22(25)28-13-15(12-26-3)9-17-6-5-16(10-20(17)23)19-8-7-18(27-4)11-21(19)24/h5-8,10-11,15H,1,9,12-13H2,2-4H3
InChIKeySSANEDIXQBQSOZ-UHFFFAOYSA-N
XLogP4.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-fluoro-4-[3-fluoro-4-[3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl]phenyl]phenyl] 2,2-dimethylpropanoate
CID 138664459
[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylpropanoate
CID 126514909
1-[4-(2-fluoro-4-methoxyphenyl)phenyl]propan-2-one
CID 82541027
[4-[3-fluoro-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]phenyl]phenyl]phenyl] 2-methylpropanoate
CID 155156866
2-[3-fluoro-4-[3-fluoro-4-[2-methyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027207
dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094
2-[4-(3-fluoro-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 67641327
[3-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 118181749
2-[4-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027213
[4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;methane
CID 157390432
[4-[3-fluoro-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 168727554
[5-[2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]-2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122040

Frequently Asked Questions

What is the IUPAC name of [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate (CID 138567359) is [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COC)Cc1ccc(-c2ccc(OC)cc2F)cc1F.
What is the InChIKey of [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate?
The InChIKey is SSANEDIXQBQSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2O4/c1-14(2)22(25)28-13-15(12-26-3)9-17-6-5-16(10-20(17)23)19-8-7-18(27-4)11-21(19)24/h5-8,10-11,15H,1,9,12-13H2,2-4H3.
What are the key properties of [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate?
[2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate has a molecular weight of 390.43 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 138567359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).