(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate

C20H18O4 — CID 59668576

IUPAC(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)/C=C/c2ccccc2)cc1CC
InChIInChI=1S/C20H18O4/c1-3-16-14-17(11-12-18(16)24-19(21)4-2)23-20(22)13-10-15-8-6-5-7-9-15/h4-14H,2-3H2,1H3/b13-10+
InChIKeyXPHOUUFSOYTHJM-JLHYYAGUSA-N
MW322.36 g/mol
LogP3.96
Rot. Bonds6

About (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate

(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate (PubChem CID 59668576) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate
PubChem CID59668576
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)/C=C/c2ccccc2)cc1CC
InChIInChI=1S/C20H18O4/c1-3-16-14-17(11-12-18(16)24-19(21)4-2)23-20(22)13-10-15-8-6-5-7-9-15/h4-14H,2-3H2,1H3/b13-10+
InChIKeyXPHOUUFSOYTHJM-JLHYYAGUSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.96
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

[3-ethyl-4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 129281731
[2-ethyl-4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl] 4-(2-oxobut-3-enyl)benzoate
CID 158117515
[2-ethyl-4-[(E)-3-[4-(2-oxobut-3-enyl)phenyl]prop-2-enoyl]oxyphenyl] 4-(2-oxobut-3-enyl)benzoate
CID 158117516
[3-methoxy-4-(3-phenylprop-2-enoyloxy)phenyl] 3-phenylprop-2-enoate
CID 123758297
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583
[2-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 72974963
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
CID 59739200
(4-bromo-3-methylphenyl) (E)-3-phenylprop-2-enoate
CID 922289
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
[1-[[2-(3-phenylprop-2-enoyloxy)naphthalen-1-yl]methyl]naphthalen-2-yl] 3-phenylprop-2-enoate
CID 582973

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate (CID 59668576) is (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate is C=CC(=O)Oc1ccc(OC(=O)/C=C/c2ccccc2)cc1CC.
What is the InChIKey of (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate?
The InChIKey is XPHOUUFSOYTHJM-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-16-14-17(11-12-18(16)24-19(21)4-2)23-20(22)13-10-15-8-6-5-7-9-15/h4-14H,2-3H2,1H3/b13-10+.
What are the key properties of (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate?
(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate has a molecular weight of 322.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 59668576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).