[5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

C112H116F4O32 — CID 163599610

IUPAC[5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(-c2cc(F)c(OC(=O)C(=C)C)c(COC)c2)cc(COC)c1OC(=O)C(=C)C.C=C(C)C(=O)Oc1cc(COC)c(-c2cc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)cc2F)cc1COC.C=C(C)C(=O)Oc1cc(F)c(-c2cc(COC)c(OC(=O)C(=C)C)c(COC)c2)cc1OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(-c2c(COC)cc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c2F)cc1COC
InChIInChI=1S/4C28H29FO8/c1-15(2)26(30)35-23-10-18(13-33-7)20(9-19(23)14-34-8)21-11-24(36-27(31)16(3)4)25(12-22(21)29)37-28(32)17(5)6;1-15(2)26(30)35-23-12-19(10-21(14-34-8)25(23)37-28(32)17(5)6)18-9-20(13-33-7)24(22(29)11-18)36-27(31)16(3)4;1-15(2)26(30)35-23-11-21(22(29)12-24(23)36-27(31)16(3)4)18-9-19(13-33-7)25(20(10-18)14-34-8)37-28(32)17(5)6;1-15(2)26(30)35-21-10-9-18(11-19(21)13-33-7)23-20(14-34-8)12-22(36-27(31)16(3)4)25(24(23)29)37-28(32)17(5)6/h4*9-12H,1,3,5,13-14H2,2,4,6-8H3
InChIKeyGWLXCWFZNGYWDW-UHFFFAOYSA-N
MW2050.12 g/mol
LogP20.92
Rot. Bonds44

About [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

[5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (PubChem CID 163599610) has the molecular formula C112H116F4O32 and a molecular weight of 2050.12 g/mol. Its IUPAC name is [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
PubChem CID163599610
Molecular FormulaC112H116F4O32
Molecular Weight2050.12 g/mol
Exact Mass2048.74
IUPAC Name[5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(-c2cc(F)c(OC(=O)C(=C)C)c(COC)c2)cc(COC)c1OC(=O)C(=C)C.C=C(C)C(=O)Oc1cc(COC)c(-c2cc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)cc2F)cc1COC.C=C(C)C(=O)Oc1cc(F)c(-c2cc(COC)c(OC(=O)C(=C)C)c(COC)c2)cc1OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(-c2c(COC)cc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c2F)cc1COC
InChIInChI=1S/4C28H29FO8/c1-15(2)26(30)35-23-10-18(13-33-7)20(9-19(23)14-34-8)21-11-24(36-27(31)16(3)4)25(12-22(21)29)37-28(32)17(5)6;1-15(2)26(30)35-23-12-19(10-21(14-34-8)25(23)37-28(32)17(5)6)18-9-20(13-33-7)24(22(29)11-18)36-27(31)16(3)4;1-15(2)26(30)35-23-11-21(22(29)12-24(23)36-27(31)16(3)4)18-9-19(13-33-7)25(20(10-18)14-34-8)37-28(32)17(5)6;1-15(2)26(30)35-21-10-9-18(11-19(21)13-33-7)23-20(14-34-8)12-22(36-27(31)16(3)4)25(24(23)29)37-28(32)17(5)6/h4*9-12H,1,3,5,13-14H2,2,4,6-8H3
InChIKeyGWLXCWFZNGYWDW-UHFFFAOYSA-N
XLogP20.92
TPSA389.44 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002050.12
LogP ≤ 520.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[4-[4-[3-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate
CID 147663401
[4-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 147030807
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluoro-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 118975640
[5-[3-fluoro-5-[2-(methoxymethyl)prop-2-enoyloxy]-4-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-(methoxymethyl)prop-2-enoate
CID 155139675
[4-[3-fluoro-4-[2-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 147366974
[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate
CID 59510821
[4-[4-(4-acetyloxy-3-methoxyphenyl)-2-fluoro-3,6-dimethoxyphenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 144772084
2-[3-fluoro-2-(2-methoxyethoxy)-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 123530280
[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate
CID 126551736
[4-[4-[[2,3-difluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]-3-fluorophenyl]phenyl] 2-methylprop-2-enoate
CID 147599534
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl]phenyl] 2-methylprop-2-enoate
CID 130280856
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995

Frequently Asked Questions

What is the IUPAC name of [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (CID 163599610) is [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(-c2cc(F)c(OC(=O)C(=C)C)c(COC)c2)cc(COC)c1OC(=O)C(=C)C.C=C(C)C(=O)Oc1cc(COC)c(-c2cc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)cc2F)cc1COC.C=C(C)C(=O)Oc1cc(F)c(-c2cc(COC)c(OC(=O)C(=C)C)c(COC)c2)cc1OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(-c2c(COC)cc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c2F)cc1COC.
What is the InChIKey of [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The InChIKey is GWLXCWFZNGYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H29FO8/c1-15(2)26(30)35-23-10-18(13-33-7)20(9-19(23)14-34-8)21-11-24(36-27(31)16(3)4)25(12-22(21)29)37-28(32)17(5)6;1-15(2)26(30)35-23-12-19(10-21(14-34-8)25(23)37-28(32)17(5)6)18-9-20(13-33-7)24(22(29)11-18)36-27(31)16(3)4;1-15(2)26(30)35-23-11-21(22(29)12-24(23)36-27(31)16(3)4)18-9-19(13-33-7)25(20(10-18)14-34-8)37-28(32)17(5)6;1-15(2)26(30)35-21-10-9-18(11-19(21)13-33-7)23-20(14-34-8)12-22(36-27(31)16(3)4)25(24(23)29)37-28(32)17(5)6/h4*9-12H,1,3,5,13-14H2,2,4,6-8H3.
What are the key properties of [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
[5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate has a molecular weight of 2050.12 g/mol, XLogP of 20.92, 44 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3,5-bis(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-4-fluoro-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(methoxymethyl)phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-6-(methoxymethyl)-3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate;[5-[3-fluoro-5-(methoxymethyl)-4-(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 163599610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).