[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate

C20H18O4 — CID 141316940

IUPAC[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1cc(OC(=O)C(=C)C)ccc1-c1ccc(C)cc1
InChIInChI=1S/C20H18O4/c1-5-19(21)24-18-12-16(23-20(22)13(2)3)10-11-17(18)15-8-6-14(4)7-9-15/h5-12H,1-2H2,3-4H3
InChIKeyUWEBDLLEZBORHX-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.23
Rot. Bonds5

About [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate

[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate (PubChem CID 141316940) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
PubChem CID141316940
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1cc(OC(=O)C(=C)C)ccc1-c1ccc(C)cc1
InChIInChI=1S/C20H18O4/c1-5-19(21)24-18-12-16(23-20(22)13(2)3)10-11-17(18)15-8-6-14(4)7-9-15/h5-12H,1-2H2,3-4H3
InChIKeyUWEBDLLEZBORHX-UHFFFAOYSA-N
XLogP4.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.23
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-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethynyl]-2-prop-2-enoyloxyphenyl]phenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118605590
[4-[2-[4-[2-(2-methylprop-2-enoyloxy)-4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]phenyl]phenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118605588
[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660267
[5-[2-(4-prop-2-enoyloxyphenyl)ethynyl]-2-[4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118605589
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[4-[6-[2-[3,4-di(prop-2-enoyloxy)phenoxy]ethoxy]naphthalen-2-yl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 122424873
[4-[2-[2-methyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]-5-prop-2-enoyloxyphenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118605386
[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 145122374

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate (CID 141316940) is [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate is C=CC(=O)Oc1cc(OC(=O)C(=C)C)ccc1-c1ccc(C)cc1.
What is the InChIKey of [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate?
The InChIKey is UWEBDLLEZBORHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-5-19(21)24-18-12-16(23-20(22)13(2)3)10-11-17(18)15-8-6-14(4)7-9-15/h5-12H,1-2H2,3-4H3.
What are the key properties of [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate?
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate has a molecular weight of 322.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141316940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).