ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate

C20H21ClO3 — CID 131732159

IUPACethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C(\CCc1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H21ClO3/c1-3-24-20(22)14-17(16-8-12-19(23-2)13-9-16)7-4-15-5-10-18(21)11-6-15/h5-6,8-14H,3-4,7H2,1-2H3/b17-14+
InChIKeyOXXMDEBUORZEFY-SAPNQHFASA-N
MW344.84 g/mol
LogP4.93
Rot. Bonds7

About ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate

ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate (PubChem CID 131732159) has the molecular formula C20H21ClO3 and a molecular weight of 344.84 g/mol. Its IUPAC name is ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
PubChem CID131732159
Molecular FormulaC20H21ClO3
Molecular Weight344.84 g/mol
Exact Mass344.12
IUPAC Nameethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C(\CCc1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H21ClO3/c1-3-24-20(22)14-17(16-8-12-19(23-2)13-9-16)7-4-15-5-10-18(21)11-6-15/h5-6,8-14H,3-4,7H2,1-2H3/b17-14+
InChIKeyOXXMDEBUORZEFY-SAPNQHFASA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
CID 66759556
ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate
CID 90754116
ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate
CID 86662462
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate
CID 67357334
ethyl 4-(4-methoxyphenyl)-3-methylbut-2-enoate
CID 54482573
ethyl (Z)-4-azido-3-(4-methoxyphenyl)but-2-enoate
CID 102183878
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
ethyl (E)-3-(dibenzylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 166069435
(Z)-2-(4-chlorophenyl)-4-ethoxy-4-oxobut-2-enoic acid
CID 141256904
(E)-1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]but-2-en-1-one
CID 6389116

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate?
The IUPAC name of ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate (CID 131732159) is ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate.
What is the SMILES notation for ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate?
The canonical SMILES for ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate is CCOC(=O)/C=C(\CCc1ccc(Cl)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate?
The InChIKey is OXXMDEBUORZEFY-SAPNQHFASA-N. The full InChI is InChI=1S/C20H21ClO3/c1-3-24-20(22)14-17(16-8-12-19(23-2)13-9-16)7-4-15-5-10-18(21)11-6-15/h5-6,8-14H,3-4,7H2,1-2H3/b17-14+.
What are the key properties of ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate?
ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate has a molecular weight of 344.84 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate is sourced from PubChem (CID 131732159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).