4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene

C18H20O2S — CID 19370434

IUPAC4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene
SMILESCOc1ccc(/C=C(\C)c2cc(OC)ccc2SC)cc1
InChIInChI=1S/C18H20O2S/c1-13(11-14-5-7-15(19-2)8-6-14)17-12-16(20-3)9-10-18(17)21-4/h5-12H,1-4H3/b13-11+
InChIKeyJYZRQXVNNDQJKI-ACCUITESSA-N
MW300.42 g/mol
LogP4.99
Rot. Bonds5

About 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene

4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene (PubChem CID 19370434) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene.

Molecular Properties

Compound Name4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene
PubChem CID19370434
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene
SMILESCOc1ccc(/C=C(\C)c2cc(OC)ccc2SC)cc1
InChIInChI=1S/C18H20O2S/c1-13(11-14-5-7-15(19-2)8-6-14)17-12-16(20-3)9-10-18(17)21-4/h5-12H,1-4H3/b13-11+
InChIKeyJYZRQXVNNDQJKI-ACCUITESSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene 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 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene?
The IUPAC name of 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene (CID 19370434) is 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene.
What is the SMILES notation for 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene?
The canonical SMILES for 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene is COc1ccc(/C=C(\C)c2cc(OC)ccc2SC)cc1.
What is the InChIKey of 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene?
The InChIKey is JYZRQXVNNDQJKI-ACCUITESSA-N. The full InChI is InChI=1S/C18H20O2S/c1-13(11-14-5-7-15(19-2)8-6-14)17-12-16(20-3)9-10-18(17)21-4/h5-12H,1-4H3/b13-11+.
What are the key properties of 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene?
4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene has a molecular weight of 300.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene is sourced from PubChem (CID 19370434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).