[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate

C24H26O5 — CID 59739252

IUPAC[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(C)c(Oc2cc(C)c(OC(=O)C(=C)C)cc2C)cc1C
InChIInChI=1S/C24H26O5/c1-13(2)23(25)28-21-11-15(5)19(9-17(21)7)27-20-10-18(8)22(12-16(20)6)29-24(26)14(3)4/h9-12H,1,3H2,2,4-8H3
InChIKeySTSDBEYFGOHTLZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.68
Rot. Bonds6

About [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate

[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate (PubChem CID 59739252) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate
PubChem CID59739252
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(C)c(Oc2cc(C)c(OC(=O)C(=C)C)cc2C)cc1C
InChIInChI=1S/C24H26O5/c1-13(2)23(25)28-21-11-15(5)19(9-17(21)7)27-20-10-18(8)22(12-16(20)6)29-24(26)14(3)4/h9-12H,1,3H2,2,4-8H3
InChIKeySTSDBEYFGOHTLZ-UHFFFAOYSA-N
XLogP5.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 174180010
(3,5-diiodo-2-methylphenyl) 2-methylprop-2-enoate
CID 170657693
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109
(4-anilino-2-methylphenyl) 2-methylprop-2-enoate
CID 21326582
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945
4-(4-carboxy-2,5-dimethylphenoxy)-2,5-dimethylbenzoic acid
CID 139991122
(4-tert-butylphenyl)-[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)benzoyl]oxyphenoxy]-2-methylphenyl]iodanium
CID 163544449
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 121372601
[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

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate (CID 59739252) is [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(C)c(Oc2cc(C)c(OC(=O)C(=C)C)cc2C)cc1C.
What is the InChIKey of [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate?
The InChIKey is STSDBEYFGOHTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5/c1-13(2)23(25)28-21-11-15(5)19(9-17(21)7)27-20-10-18(8)22(12-16(20)6)29-24(26)14(3)4/h9-12H,1,3H2,2,4-8H3.
What are the key properties of [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate?
[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate has a molecular weight of 394.47 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 59739252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).