4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol

C20H23NO4 — CID 89219221

IUPAC4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol
SMILESC=C(O)N(/C(=C\C)c1cc(CC)c(O)cc1O)c1ccc(O)c(C)c1
InChIInChI=1S/C20H23NO4/c1-5-14-10-16(20(25)11-19(14)24)17(6-2)21(13(4)22)15-7-8-18(23)12(3)9-15/h6-11,22-25H,4-5H2,1-3H3/b17-6-
InChIKeyPOXGHNXOKKMRDF-FMQZQXMHSA-N
MW341.41 g/mol
LogP4.57
Rot. Bonds5

About 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol

4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol (PubChem CID 89219221) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol
PubChem CID89219221
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol
SMILESC=C(O)N(/C(=C\C)c1cc(CC)c(O)cc1O)c1ccc(O)c(C)c1
InChIInChI=1S/C20H23NO4/c1-5-14-10-16(20(25)11-19(14)24)17(6-2)21(13(4)22)15-7-8-18(23)12(3)9-15/h6-11,22-25H,4-5H2,1-3H3/b17-6-
InChIKeyPOXGHNXOKKMRDF-FMQZQXMHSA-N
XLogP4.57
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol (CID 89219221) is 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol is C=C(O)N(/C(=C\C)c1cc(CC)c(O)cc1O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol?
The InChIKey is POXGHNXOKKMRDF-FMQZQXMHSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-14-10-16(20(25)11-19(14)24)17(6-2)21(13(4)22)15-7-8-18(23)12(3)9-15/h6-11,22-25H,4-5H2,1-3H3/b17-6-.
What are the key properties of 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol?
4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol has a molecular weight of 341.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(Z)-1-[4-hydroxy-N-(1-hydroxyethenyl)-3-methylanilino]prop-1-enyl]benzene-1,3-diol is sourced from PubChem (CID 89219221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).