4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene

C20H22O4S — CID 101201572

IUPAC4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(/C=C/S/C=C/c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H22O4S/c1-21-17-7-5-15(13-19(17)23-3)9-11-25-12-10-16-6-8-18(22-2)20(14-16)24-4/h5-14H,1-4H3/b11-9+,12-10+
InChIKeyNVLYSWSPWMJCSR-WGDLNXRISA-N
MW358.46 g/mol
LogP5.10
Rot. Bonds8

About 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene

4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene (PubChem CID 101201572) has the molecular formula C20H22O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
PubChem CID101201572
Molecular FormulaC20H22O4S
Molecular Weight358.46 g/mol
Exact Mass358.12
IUPAC Name4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(/C=C/S/C=C/c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H22O4S/c1-21-17-7-5-15(13-19(17)23-3)9-11-25-12-10-16-6-8-18(22-2)20(14-16)24-4/h5-14H,1-4H3/b11-9+,12-10+
InChIKeyNVLYSWSPWMJCSR-WGDLNXRISA-N
XLogP5.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]disulfanyl]prop-1-enyl]-1,2-dimethoxybenzene
CID 122188364
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
CID 102068140
CID 102068140
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
(2E,4E)-5-(3,4-dimethoxyphenyl)penta-2,4-dienal
CID 12514233
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene (CID 101201572) is 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene is COc1ccc(/C=C/S/C=C/c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene?
The InChIKey is NVLYSWSPWMJCSR-WGDLNXRISA-N. The full InChI is InChI=1S/C20H22O4S/c1-21-17-7-5-15(13-19(17)23-3)9-11-25-12-10-16-6-8-18(22-2)20(14-16)24-4/h5-14H,1-4H3/b11-9+,12-10+.
What are the key properties of 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene?
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene has a molecular weight of 358.46 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 101201572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).