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

C19H18O4 — CID 8764069

IUPAC(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1/C=C/C(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H18O4/c1-3-22-18-7-5-4-6-16(18)10-13-19(21)23-17-11-8-15(9-12-17)14(2)20/h4-13H,3H2,1-2H3/b13-10+
InChIKeyQBKVIPFGQQVHMN-JLHYYAGUSA-N
MW310.35 g/mol
LogP3.91
Rot. Bonds6

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

(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate (PubChem CID 8764069) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
PubChem CID8764069
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1/C=C/C(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H18O4/c1-3-22-18-7-5-4-6-16(18)10-13-19(21)23-17-11-8-15(9-12-17)14(2)20/h4-13H,3H2,1-2H3/b13-10+
InChIKeyQBKVIPFGQQVHMN-JLHYYAGUSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.91
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-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207715
(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 19207618
benzyl 4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]oxybenzoate
CID 19207652
(4-acetylphenyl) (E)-3-(2-bromophenyl)prop-2-enoate
CID 8764071
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(4-bromophenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207692
[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207703
(4-tert-butylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207685
propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
CID 77493840
benzyl 4-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxybenzoate
CID 19207710
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate (CID 8764069) is (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate is CCOc1ccccc1/C=C/C(=O)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate?
The InChIKey is QBKVIPFGQQVHMN-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-22-18-7-5-4-6-16(18)10-13-19(21)23-17-11-8-15(9-12-17)14(2)20/h4-13H,3H2,1-2H3/b13-10+.
What are the key properties of (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate?
(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate has a molecular weight of 310.35 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 8764069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).