2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

C19H22O4 — CID 139943086

IUPAC2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCCc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H22O4/c1-5-15-9-8-13(10-16(15)20)6-7-14-11-17(21-2)19(23-4)18(12-14)22-3/h6-12,20H,5H2,1-4H3/b7-6-
InChIKeyQHCXRFFBXVBLKE-SREVYHEPSA-N
MW314.38 g/mol
LogP4.15
Rot. Bonds6

About 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (PubChem CID 139943086) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
PubChem CID139943086
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
SMILESCCc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H22O4/c1-5-15-9-8-13(10-16(15)20)6-7-14-11-17(21-2)19(23-4)18(12-14)22-3/h6-12,20H,5H2,1-4H3/b7-6-
InChIKeyQHCXRFFBXVBLKE-SREVYHEPSA-N
XLogP4.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The IUPAC name of 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol (CID 139943086) is 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is CCc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
The InChIKey is QHCXRFFBXVBLKE-SREVYHEPSA-N. The full InChI is InChI=1S/C19H22O4/c1-5-15-9-8-13(10-16(15)20)6-7-14-11-17(21-2)19(23-4)18(12-14)22-3/h6-12,20H,5H2,1-4H3/b7-6-.
What are the key properties of 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol?
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol has a molecular weight of 314.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 139943086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).