[(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate

C24H28O3 — CID 130304905

IUPAC[(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C(C)=C(\C)Oc1ccc(-c2ccc(CC)cc2C)c(C)c1
InChIInChI=1S/C24H28O3/c1-8-20-9-11-22(16(4)13-20)23-12-10-21(14-17(23)5)26-18(6)19(7)27-24(25)15(2)3/h9-14H,2,8H2,1,3-7H3/b19-18+
InChIKeyWMTLULWCRKBNLJ-VHEBQXMUSA-N
MW364.49 g/mol
LogP6.28
Rot. Bonds6

About [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate

[(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate (PubChem CID 130304905) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
PubChem CID130304905
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name[(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C(C)=C(\C)Oc1ccc(-c2ccc(CC)cc2C)c(C)c1
InChIInChI=1S/C24H28O3/c1-8-20-9-11-22(16(4)13-20)23-12-10-21(14-17(23)5)26-18(6)19(7)27-24(25)15(2)3/h9-14H,2,8H2,1,3-7H3/b19-18+
InChIKeyWMTLULWCRKBNLJ-VHEBQXMUSA-N
XLogP6.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-[4-[2-ethyl-4-(4-ethylphenyl)-5-methylphenyl]phenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
CID 130304914
3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate
CID 160683085
[(E)-3-[4-[4-[(E)-3-(2-methylprop-2-enoyloxy)but-2-en-2-yl]oxynaphthalen-1-yl]phenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
CID 118881585
[4-[3-fluoro-4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 168727534
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109
[(E)-3-[4-[(3-fluoro-4-prop-2-enoyloxyphenyl)methoxy]phenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
CID 118881567
[4-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-3-methylphenyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 168727535
[4-[bis[2-methyl-4-(2-methylprop-2-enoyloxy)phenyl]methyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 147925089
[3-fluoro-4-[2-methyl-4-[3-methyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 168727514
2-[(4-ethylphenoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 143902345
2-[3-fluoro-4-[3-fluoro-4-[2-methyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027207
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate (CID 130304905) is [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)O/C(C)=C(\C)Oc1ccc(-c2ccc(CC)cc2C)c(C)c1.
What is the InChIKey of [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate?
The InChIKey is WMTLULWCRKBNLJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C24H28O3/c1-8-20-9-11-22(16(4)13-20)23-12-10-21(14-17(23)5)26-18(6)19(7)27-24(25)15(2)3/h9-14H,2,8H2,1,3-7H3/b19-18+.
What are the key properties of [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate?
[(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate has a molecular weight of 364.49 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 130304905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).