[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

C16H18O4 — CID 140889355

IUPAC[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(C)ccc(C)c1OC(=O)C(=C)C
InChIInChI=1S/C16H18O4/c1-9(2)15(17)19-13-11(5)7-8-12(6)14(13)20-16(18)10(3)4/h7-8H,1,3H2,2,4-6H3
InChIKeyQOAGSMABDHXAJJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.27
Rot. Bonds4

About [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (PubChem CID 140889355) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
PubChem CID140889355
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(C)ccc(C)c1OC(=O)C(=C)C
InChIInChI=1S/C16H18O4/c1-9(2)15(17)19-13-11(5)7-8-12(6)14(13)20-16(18)10(3)4/h7-8H,1,3H2,2,4-6H3
InChIKeyQOAGSMABDHXAJJ-UHFFFAOYSA-N
XLogP3.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.27
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

(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide
CID 162138067
[4-[2-[4-[2-[3,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenyl] 2-methylprop-2-enoate
CID 59739180
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate
CID 164546897
[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate
CID 146664163
(2,3,5,6-tetrafluoro-4-methylphenyl) 2-methylprop-2-enoate
CID 89308664
(2,3-dimethylazulen-1-yl) 2-methylprop-2-enoate
CID 164546738
4-methyl-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 174180010
(2-tert-butyl-6-methylphenyl) 2-methylprop-2-enoate;ethane;prop-1-ene
CID 177153144
(2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate
CID 168968326
[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate
CID 134554194
[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate
CID 59739252
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (CID 140889355) is [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(C)ccc(C)c1OC(=O)C(=C)C.
What is the InChIKey of [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The InChIKey is QOAGSMABDHXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-9(2)15(17)19-13-11(5)7-8-12(6)14(13)20-16(18)10(3)4/h7-8H,1,3H2,2,4-6H3.
What are the key properties of [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140889355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).