[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate

C16H18O4 — CID 73426848

IUPAC[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)Oc1ccc(OC(=O)/C(C)=C/C)cc1
InChIInChI=1S/C16H18O4/c1-5-11(3)15(17)19-13-7-9-14(10-8-13)20-16(18)12(4)6-2/h5-10H,1-4H3/b11-5+,12-6+
InChIKeyCPNAFYHPNWQCAR-YDWXAUTNSA-N
MW274.32 g/mol
LogP3.43
Rot. Bonds4

About [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate

[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate (PubChem CID 73426848) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
PubChem CID73426848
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)Oc1ccc(OC(=O)/C(C)=C/C)cc1
InChIInChI=1S/C16H18O4/c1-5-11(3)15(17)19-13-7-9-14(10-8-13)20-16(18)12(4)6-2/h5-10H,1-4H3/b11-5+,12-6+
InChIKeyCPNAFYHPNWQCAR-YDWXAUTNSA-N
XLogP3.43
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 ≤ 53.43
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

[4-[(E)-2-methylbut-2-enoyl]oxyphenyl]-diphenylsulfanium
CID 167388328
[4-(oxiran-2-ylmethoxy)phenyl] 2-methylbut-2-enoate
CID 174782278
[4-[N-(3,4-dimethylphenyl)-4-(2-methylbut-2-enoyloxy)anilino]phenyl] 2-methylbut-2-enoate
CID 123744465
[4-(2-methylprop-2-enoyloxy)phenyl] 2-[(Z)-2-methylbut-2-enoyl]oxy-4-(2-methylprop-2-enoyloxy)benzoate
CID 118907446
[2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] (E)-2-methylbut-2-enoate
CID 118907377
(4-ethoxyphenyl) 2-methylpent-2-enoate
CID 175299666
phenoxycarbonyl 2-methylbut-2-enoate
CID 175490227
(4-hydroxyphenyl) 2-oxopropanoate
CID 22601056
(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate
CID 145084883
(2-methyl-4-oxopyran-3-yl) (Z)-2-methylbut-2-enoate
CID 176754547
anthracen-9-yl 2-methylbut-2-enoate
CID 173150522
(2-ethylphenyl) 2-methylbut-2-enoate
CID 175294734

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate?
The IUPAC name of [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate (CID 73426848) is [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate.
What is the SMILES notation for [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate?
The canonical SMILES for [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)Oc1ccc(OC(=O)/C(C)=C/C)cc1.
What is the InChIKey of [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate?
The InChIKey is CPNAFYHPNWQCAR-YDWXAUTNSA-N. The full InChI is InChI=1S/C16H18O4/c1-5-11(3)15(17)19-13-7-9-14(10-8-13)20-16(18)12(4)6-2/h5-10H,1-4H3/b11-5+,12-6+.
What are the key properties of [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate?
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate is sourced from PubChem (CID 73426848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).