(4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate

C18H15ClO4 — CID 19167656

IUPAC(4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESCOc1cc(C(C)=O)ccc1OC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C18H15ClO4/c1-12(20)14-7-9-16(17(11-14)22-2)23-18(21)10-8-13-5-3-4-6-15(13)19/h3-11H,1-2H3/b10-8+
InChIKeyXJFZPLIABOFCOO-CSKARUKUSA-N
MW330.77 g/mol
LogP4.17
Rot. Bonds5

About (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate

(4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 19167656) has the molecular formula C18H15ClO4 and a molecular weight of 330.77 g/mol. Its IUPAC name is (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID19167656
Molecular FormulaC18H15ClO4
Molecular Weight330.77 g/mol
Exact Mass330.07
IUPAC Name(4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESCOc1cc(C(C)=O)ccc1OC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C18H15ClO4/c1-12(20)14-7-9-16(17(11-14)22-2)23-18(21)10-8-13-5-3-4-6-15(13)19/h3-11H,1-2H3/b10-8+
InChIKeyXJFZPLIABOFCOO-CSKARUKUSA-N
XLogP4.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.17
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-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
CID 19172642
dimethyl 5-[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxybenzene-1,3-dicarboxylate
CID 8018296
ethyl (E)-3-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxy-3-methoxyphenyl]-2-cyanoprop-2-enoate
CID 19172336
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 19171057
(E)-3-(2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 39387847
1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-methoxyphenyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 19226844
(E)-3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)carbamothioyl]prop-2-enamide
CID 54781507
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 30381442
(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 17329451

Frequently Asked Questions

What is the IUPAC name of (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate (CID 19167656) is (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate is COc1cc(C(C)=O)ccc1OC(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is XJFZPLIABOFCOO-CSKARUKUSA-N. The full InChI is InChI=1S/C18H15ClO4/c1-12(20)14-7-9-16(17(11-14)22-2)23-18(21)10-8-13-5-3-4-6-15(13)19/h3-11H,1-2H3/b10-8+.
What are the key properties of (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
(4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 330.77 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 19167656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).