[6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate

C20H20O4 — CID 143953930

IUPAC[6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CCCC=C1c1ccccc1OC(=O)C(=C)C
InChIInChI=1S/C20H20O4/c1-13(2)19(21)23-17-11-7-5-9-15(17)16-10-6-8-12-18(16)24-20(22)14(3)4/h5,7,9-12H,1,3,6,8H2,2,4H3
InChIKeyBIPJOWRPUMEPOX-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.35
Rot. Bonds5

About [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate

[6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate (PubChem CID 143953930) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate
PubChem CID143953930
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CCCC=C1c1ccccc1OC(=O)C(=C)C
InChIInChI=1S/C20H20O4/c1-13(2)19(21)23-17-11-7-5-9-15(17)16-10-6-8-12-18(16)24-20(22)14(3)4/h5,7,9-12H,1,3,6,8H2,2,4H3
InChIKeyBIPJOWRPUMEPOX-UHFFFAOYSA-N
XLogP4.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
CID 139613270
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
[2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate
CID 139783788
fluoranthen-1-yl 2-methylprop-2-enoate
CID 164546772
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[4-[4-methyl-4,6-bis(2-methylprop-2-enoyloxy)cyclohexa-1,5-dien-1-yl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462473
[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate
CID 172876417
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
[2-isocyanato-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 150639806

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate (CID 143953930) is [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1=CCCC=C1c1ccccc1OC(=O)C(=C)C.
What is the InChIKey of [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate?
The InChIKey is BIPJOWRPUMEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-13(2)19(21)23-17-11-7-5-9-15(17)16-10-6-8-12-18(16)24-20(22)14(3)4/h5,7,9-12H,1,3,6,8H2,2,4H3.
What are the key properties of [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate?
[6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 143953930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).