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

C24H27FO6 — CID 154625461

IUPAC[(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc([C@H]2CCC(OC(=O)C(=C)C)CC2F)c(OC(=O)C(=C)C)c1
InChIInChI=1S/C24H27FO6/c1-13(2)22(26)29-16-7-9-18(20(25)11-16)19-10-8-17(30-23(27)14(3)4)12-21(19)31-24(28)15(5)6/h8,10,12,16,18,20H,1,3,5,7,9,11H2,2,4,6H3/t16?,18-,20?/m1/s1
InChIKeyGQLRFWRPQHYPTK-KGXSXCIVSA-N
MW430.47 g/mol
LogP4.74
Rot. Bonds7

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

[(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate (PubChem CID 154625461) has the molecular formula C24H27FO6 and a molecular weight of 430.47 g/mol. Its IUPAC name is [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate
PubChem CID154625461
Molecular FormulaC24H27FO6
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name[(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc([C@H]2CCC(OC(=O)C(=C)C)CC2F)c(OC(=O)C(=C)C)c1
InChIInChI=1S/C24H27FO6/c1-13(2)22(26)29-16-7-9-18(20(25)11-16)19-10-8-17(30-23(27)14(3)4)12-21(19)31-24(28)15(5)6/h8,10,12,16,18,20H,1,3,5,7,9,11H2,2,4,6H3/t16?,18-,20?/m1/s1
InChIKeyGQLRFWRPQHYPTK-KGXSXCIVSA-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
[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate
CID 138517237
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
[1-[4-[4-(2-methylprop-2-enoyloxy)phenyl]benzoyl]piperidin-4-yl] 2-methylprop-2-enoate
CID 118550634
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 118458100
[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545
2-ethoxy-4-(2-methylprop-2-enoyloxy)benzoic acid;hydrochloride
CID 69497171
[16-(2-methylprop-2-enoyloxy)-10,20-dioxo-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-3(8),4,6,13(18),14,16-hexaen-6-yl] 2-methylprop-2-enoate
CID 58991515
[3-ethoxy-4-[2-[2-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 24821962

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate (CID 154625461) is [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc([C@H]2CCC(OC(=O)C(=C)C)CC2F)c(OC(=O)C(=C)C)c1.
What is the InChIKey of [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate?
The InChIKey is GQLRFWRPQHYPTK-KGXSXCIVSA-N. The full InChI is InChI=1S/C24H27FO6/c1-13(2)22(26)29-16-7-9-18(20(25)11-16)19-10-8-17(30-23(27)14(3)4)12-21(19)31-24(28)15(5)6/h8,10,12,16,18,20H,1,3,5,7,9,11H2,2,4,6H3/t16?,18-,20?/m1/s1.
What are the key properties of [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate?
[(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-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 [(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 154625461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).