(4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate

C18H18O4 — CID 731131

IUPAC(4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O4/c1-3-21-16-7-4-14(5-8-16)6-13-18(19)22-17-11-9-15(20-2)10-12-17/h4-13H,3H2,1-2H3/b13-6+
InChIKeyGUVDRWVFEPJWLX-AWNIVKPZSA-N
MW298.34 g/mol
LogP3.71
Rot. Bonds6

About (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate

(4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate (PubChem CID 731131) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate
PubChem CID731131
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O4/c1-3-21-16-7-4-14(5-8-16)6-13-18(19)22-17-11-9-15(20-2)10-12-17/h4-13H,3H2,1-2H3/b13-6+
InChIKeyGUVDRWVFEPJWLX-AWNIVKPZSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate (CID 731131) is (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate is CCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The InChIKey is GUVDRWVFEPJWLX-AWNIVKPZSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-21-16-7-4-14(5-8-16)6-13-18(19)22-17-11-9-15(20-2)10-12-17/h4-13H,3H2,1-2H3/b13-6+.
What are the key properties of (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate?
(4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate has a molecular weight of 298.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 731131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).