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

C20H24O2S — CID 19370413

IUPAC4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene
SMILESCCC/C(=C\c1ccc(OC)cc1)c1cc(OC)ccc1SC
InChIInChI=1S/C20H24O2S/c1-5-6-16(13-15-7-9-17(21-2)10-8-15)19-14-18(22-3)11-12-20(19)23-4/h7-14H,5-6H2,1-4H3/b16-13+
InChIKeyXGPTXAAMHDTEIB-DTQAZKPQSA-N
MW328.48 g/mol
LogP5.77
Rot. Bonds7

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

4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene (PubChem CID 19370413) has the molecular formula C20H24O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene.

Molecular Properties

Compound Name4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene
PubChem CID19370413
Molecular FormulaC20H24O2S
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene
SMILESCCC/C(=C\c1ccc(OC)cc1)c1cc(OC)ccc1SC
InChIInChI=1S/C20H24O2S/c1-5-6-16(13-15-7-9-17(21-2)10-8-15)19-14-18(22-3)11-12-20(19)23-4/h7-14H,5-6H2,1-4H3/b16-13+
InChIKeyXGPTXAAMHDTEIB-DTQAZKPQSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene
CID 19370434
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
1-methoxy-4-oct-4-en-4-ylbenzene
CID 72965234
(3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol
CID 10802265
2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene
CID 89339234
methane;1-O-(2-methylbutyl) 3-O-(2-methylpentyl) (2Z)-2-[(4-methoxyphenyl)methylidene]propanedioate
CID 160746832
1-O-(2-methylbutyl) 3-O-(2-methylpropyl) (2Z)-2-[(4-methoxyphenyl)methylidene]propanedioate
CID 146213456
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086
ethyl (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 6019202
ethyl (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 5388605
S-propyl (E)-3-(4-methoxyphenyl)-2-methylprop-2-enethioate
CID 15111693

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene?
The IUPAC name of 4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene (CID 19370413) is 4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene.
What is the SMILES notation for 4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene?
The canonical SMILES for 4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene is CCC/C(=C\c1ccc(OC)cc1)c1cc(OC)ccc1SC.
What is the InChIKey of 4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene?
The InChIKey is XGPTXAAMHDTEIB-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H24O2S/c1-5-6-16(13-15-7-9-17(21-2)10-8-15)19-14-18(22-3)11-12-20(19)23-4/h7-14H,5-6H2,1-4H3/b16-13+.
What are the key properties of 4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene?
4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene has a molecular weight of 328.48 g/mol, XLogP of 5.77, 7 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)pent-1-en-2-yl]-1-methylsulfanylbenzene is sourced from PubChem (CID 19370413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).