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

C20H20O4 — CID 19207715

IUPAC(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
SMILESCCCOc1ccccc1/C=C/C(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H20O4/c1-3-14-23-19-7-5-4-6-17(19)10-13-20(22)24-18-11-8-16(9-12-18)15(2)21/h4-13H,3,14H2,1-2H3/b13-10+
InChIKeyQQQDEMORYJMUCL-JLHYYAGUSA-N
MW324.38 g/mol
LogP4.30
Rot. Bonds7

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

(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate (PubChem CID 19207715) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
PubChem CID19207715
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
SMILESCCCOc1ccccc1/C=C/C(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H20O4/c1-3-14-23-19-7-5-4-6-17(19)10-13-20(22)24-18-11-8-16(9-12-18)15(2)21/h4-13H,3,14H2,1-2H3/b13-10+
InChIKeyQQQDEMORYJMUCL-JLHYYAGUSA-N
XLogP4.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.30
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-ethoxyphenyl)prop-2-enoate
CID 8764069
(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
benzyl 4-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxybenzoate
CID 19207710
(4-acetylphenyl) (E)-3-(2-bromophenyl)prop-2-enoate
CID 8764071
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207721
(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 19207618
(4-acetylphenyl) 2-propoxybenzoate
CID 23011739
propan-2-yl (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 102534792
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate?
The IUPAC name of (4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate (CID 19207715) is (4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate is CCCOc1ccccc1/C=C/C(=O)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of (4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate?
The InChIKey is QQQDEMORYJMUCL-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H20O4/c1-3-14-23-19-7-5-4-6-17(19)10-13-20(22)24-18-11-8-16(9-12-18)15(2)21/h4-13H,3,14H2,1-2H3/b13-10+.
What are the key properties of (4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate?
(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 4.30, 7 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-propoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19207715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).