[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

C30H29FO10 — CID 155139675

IUPAC[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
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(F)c(OC(=O)C(=C)C)c(OC(=O)C(=C)COC)c2)cc1OC(=O)C(=C)COC
InChIInChI=1S/C30H29FO10/c1-16(2)27(32)38-23-10-9-20(12-24(23)39-29(34)18(5)14-36-7)21-11-22(31)26(41-28(33)17(3)4)25(13-21)40-30(35)19(6)15-37-8/h9-13H,1,3,5-6,14-15H2,2,4,7-8H3
InChIKeyIUEAJSUPBDXRNG-UHFFFAOYSA-N
MW568.55 g/mol
LogP4.67
Rot. Bonds13

About [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

[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 (PubChem CID 155139675) has the molecular formula C30H29FO10 and a molecular weight of 568.55 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID155139675
Molecular FormulaC30H29FO10
Molecular Weight568.55 g/mol
Exact Mass568.17
IUPAC Name[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
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(F)c(OC(=O)C(=C)C)c(OC(=O)C(=C)COC)c2)cc1OC(=O)C(=C)COC
InChIInChI=1S/C30H29FO10/c1-16(2)27(32)38-23-10-9-20(12-24(23)39-29(34)18(5)14-36-7)21-11-22(31)26(41-28(33)17(3)4)25(13-21)40-30(35)19(6)15-37-8/h9-13H,1,3,5-6,14-15H2,2,4,7-8H3
InChIKeyIUEAJSUPBDXRNG-UHFFFAOYSA-N
XLogP4.67
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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
2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 147073811
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
[4-[3-fluoro-4-[4-(3-methyl-2-oxobut-3-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-methoxyphenyl] 2-methylprop-2-enoate
CID 170075434
[4-[2-[2,6-difluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethoxy]-3-fluorophenyl] 2-methylprop-2-enoate
CID 138636445
[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 170072293
[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 118147418
[2-fluoro-4-[3-fluoro-4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 139334672
[4-[2-fluoro-4-[3-(2-methylprop-2-enoyloxy)-4-prop-1-en-2-ylphenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 155372271
[4-[3-fluoro-4-[3-fluoro-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 148814539

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=C(C)C(=O)Oc1ccc(-c2cc(F)c(OC(=O)C(=C)C)c(OC(=O)C(=C)COC)c2)cc1OC(=O)C(=C)COC.
What is the InChIKey of [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?
The InChIKey is IUEAJSUPBDXRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FO10/c1-16(2)27(32)38-23-10-9-20(12-24(23)39-29(34)18(5)14-36-7)21-11-22(31)26(41-28(33)17(3)4)25(13-21)40-30(35)19(6)15-37-8/h9-13H,1,3,5-6,14-15H2,2,4,7-8H3.
What are the key properties of [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?
[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 has a molecular weight of 568.55 g/mol, XLogP of 4.67, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 155139675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).