ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate

C17H16ClNO3 — CID 25111015

IUPACethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate
SMILESCCOC(=O)/C(=C\Nc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-2-22-17(21)16(12-3-5-13(18)6-4-12)11-19-14-7-9-15(20)10-8-14/h3-11,19-20H,2H2,1H3/b16-11-
InChIKeyUPTPFNOEFZILPS-WJDWOHSUSA-N
MW317.77 g/mol
LogP4.06
Rot. Bonds5

About ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate

ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate (PubChem CID 25111015) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate
PubChem CID25111015
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Nameethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate
SMILESCCOC(=O)/C(=C\Nc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-2-22-17(21)16(12-3-5-13(18)6-4-12)11-19-14-7-9-15(20)10-8-14/h3-11,19-20H,2H2,1H3/b16-11-
InChIKeyUPTPFNOEFZILPS-WJDWOHSUSA-N
XLogP4.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate (CID 25111015) is ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate is CCOC(=O)/C(=C\Nc1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate?
The InChIKey is UPTPFNOEFZILPS-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-2-22-17(21)16(12-3-5-13(18)6-4-12)11-19-14-7-9-15(20)10-8-14/h3-11,19-20H,2H2,1H3/b16-11-.
What are the key properties of ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate?
ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate has a molecular weight of 317.77 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate is sourced from PubChem (CID 25111015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).