[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate

C23H24O4 — CID 141237345

IUPAC[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(C)ccc(Cc2ccc(C)c(OC(=O)C=C)c2C)c1C
InChIInChI=1S/C23H24O4/c1-7-20(24)26-22-14(3)9-11-18(16(22)5)13-19-12-10-15(4)23(17(19)6)27-21(25)8-2/h7-12H,1-2,13H2,3-6H3
InChIKeyMZMGTBSOAFKEOF-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.69
Rot. Bonds6

About [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate

[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate (PubChem CID 141237345) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
PubChem CID141237345
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(C)ccc(Cc2ccc(C)c(OC(=O)C=C)c2C)c1C
InChIInChI=1S/C23H24O4/c1-7-20(24)26-22-14(3)9-11-18(16(22)5)13-19-12-10-15(4)23(17(19)6)27-21(25)8-2/h7-12H,1-2,13H2,3-6H3
InChIKeyMZMGTBSOAFKEOF-UHFFFAOYSA-N
XLogP4.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.69
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-methyl-6-propylphenyl) prop-2-enoate
CID 141217583
(6-methyl-2,3-diphenylphenyl) prop-2-enoate
CID 174611973
(2-formyl-6-methylphenyl) prop-2-enoate
CID 89358403
[3-benzoyl-2-(ethylamino)-6-methylphenyl] prop-2-enoate
CID 174659886
1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene
CID 163958533
[4-[[4-[bis(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl]-(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 163521211
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate
CID 164546423
[4-[2-[3-methyl-4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl]ethyl]phenyl] prop-2-enoate
CID 121370026
2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenol;[2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenyl] prop-2-enoate
CID 54023618
[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate
CID 90778654
[2,4,5-tribromo-3,6-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 18714384
4,5-dimethyl-6-prop-2-enoyloxybenzene-1,2,3-tricarboxylic acid
CID 150180405

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate?
The IUPAC name of [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate (CID 141237345) is [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate.
What is the SMILES notation for [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate?
The canonical SMILES for [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate is C=CC(=O)Oc1c(C)ccc(Cc2ccc(C)c(OC(=O)C=C)c2C)c1C.
What is the InChIKey of [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate?
The InChIKey is MZMGTBSOAFKEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-7-20(24)26-22-14(3)9-11-18(16(22)5)13-19-12-10-15(4)23(17(19)6)27-21(25)8-2/h7-12H,1-2,13H2,3-6H3.
What are the key properties of [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate?
[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate has a molecular weight of 364.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate is sourced from PubChem (CID 141237345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).