[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate

C24H27FO6 — CID 138517237

IUPAC[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C2CCC(OC(=O)C(=C)C)C(F)C2)cc1OC(=O)C(=C)C
InChIInChI=1S/C24H27FO6/c1-13(2)22(26)29-19-9-7-16(11-18(19)25)17-8-10-20(30-23(27)14(3)4)21(12-17)31-24(28)15(5)6/h8,10,12,16,18-19H,1,3,5,7,9,11H2,2,4,6H3
InChIKeyMYMRJDJXOQIHOC-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.74
Rot. Bonds7

About [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate

[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate (PubChem CID 138517237) has the molecular formula C24H27FO6 and a molecular weight of 430.47 g/mol. Its IUPAC name is [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate
PubChem CID138517237
Molecular FormulaC24H27FO6
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C2CCC(OC(=O)C(=C)C)C(F)C2)cc1OC(=O)C(=C)C
InChIInChI=1S/C24H27FO6/c1-13(2)22(26)29-19-9-7-16(11-18(19)25)17-8-10-20(30-23(27)14(3)4)21(12-17)31-24(28)15(5)6/h8,10,12,16,18-19H,1,3,5,7,9,11H2,2,4,6H3
InChIKeyMYMRJDJXOQIHOC-UHFFFAOYSA-N
XLogP4.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate
CID 138517239
(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
[2-acetyloxy-4-[4-(3,4-dimethylphenyl)cyclohexyl]phenyl] acetate
CID 58348902
[(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate
CID 154625461
3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 118458100
[5-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
CID 138745030
[5-[3-(2-methylprop-2-enoyloxy)-4-(2-oxopropanoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
CID 146188895
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate
CID 118458159
[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 134200413
[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,3-dihydro-1H-inden-1-yl] 2-methylprop-2-enoate
CID 138744904
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520

Frequently Asked Questions

What is the IUPAC name of [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate (CID 138517237) is [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C2CCC(OC(=O)C(=C)C)C(F)C2)cc1OC(=O)C(=C)C.
What is the InChIKey of [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate?
The InChIKey is MYMRJDJXOQIHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FO6/c1-13(2)22(26)29-19-9-7-16(11-18(19)25)17-8-10-20(30-23(27)14(3)4)21(12-17)31-24(28)15(5)6/h8,10,12,16,18-19H,1,3,5,7,9,11H2,2,4,6H3.
What are the key properties of [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate?
[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate has a molecular weight of 430.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 138517237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).