(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

C20H20O3 — CID 19181737

IUPAC(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCC(=O)c1ccc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H20O3/c1-14(2)17-7-4-16(5-8-17)6-13-20(22)23-19-11-9-18(10-12-19)15(3)21/h4-14H,1-3H3/b13-6+
InChIKeyDAZPKBAUSAOZBE-AWNIVKPZSA-N
MW308.38 g/mol
LogP4.63
Rot. Bonds5

About (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate (PubChem CID 19181737) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
PubChem CID19181737
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCC(=O)c1ccc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H20O3/c1-14(2)17-7-4-16(5-8-17)6-13-20(22)23-19-11-9-18(10-12-19)15(3)21/h4-14H,1-3H3/b13-6+
InChIKeyDAZPKBAUSAOZBE-AWNIVKPZSA-N
XLogP4.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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) 3-(4-fluorophenyl)prop-2-enoate
CID 917641
(4-acetylphenyl) 3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 4813382
(4-acetylphenyl) (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7741057
(4-propan-2-ylphenyl) (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 161158974
[4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181742
[4-(2-methoxy-2-oxoethyl)phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 16551418
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
(4-acetylphenyl) (E)-3-(4-heptoxyphenyl)prop-2-enoate
CID 43833921
5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 110493699
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 16551636
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The IUPAC name of (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate (CID 19181737) is (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate.
What is the SMILES notation for (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The canonical SMILES for (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate is CC(=O)c1ccc(OC(=O)/C=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The InChIKey is DAZPKBAUSAOZBE-AWNIVKPZSA-N. The full InChI is InChI=1S/C20H20O3/c1-14(2)17-7-4-16(5-8-17)6-13-20(22)23-19-11-9-18(10-12-19)15(3)21/h4-14H,1-3H3/b13-6+.
What are the key properties of (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate has a molecular weight of 308.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate is sourced from PubChem (CID 19181737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).