4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene

C19H20O4S — CID 5385021

IUPAC4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
SMILESCCOc1ccc(/C=C/S(=O)(=O)/C=C\c2ccccc2)c(OC)c1
InChIInChI=1S/C19H20O4S/c1-3-23-18-10-9-17(19(15-18)22-2)12-14-24(20,21)13-11-16-7-5-4-6-8-16/h4-15H,3H2,1-2H3/b13-11-,14-12+
InChIKeyJFCFJZFATQUBQO-HEEUSZRZSA-N
MW344.43 g/mol
LogP4.15
Rot. Bonds7

About 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene

4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene (PubChem CID 5385021) has the molecular formula C19H20O4S and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene.

Molecular Properties

Compound Name4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
PubChem CID5385021
Molecular FormulaC19H20O4S
Molecular Weight344.43 g/mol
Exact Mass344.11
IUPAC Name4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene
SMILESCCOc1ccc(/C=C/S(=O)(=O)/C=C\c2ccccc2)c(OC)c1
InChIInChI=1S/C19H20O4S/c1-3-23-18-10-9-17(19(15-18)22-2)12-14-24(20,21)13-11-16-7-5-4-6-8-16/h4-15H,3H2,1-2H3/b13-11-,14-12+
InChIKeyJFCFJZFATQUBQO-HEEUSZRZSA-N
XLogP4.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(2,4-diethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 139826664
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828459
3-(4-ethoxy-2-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826426
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
(5Z)-5-[(4-ethoxy-2-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 34056376
1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 22136870
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol
CID 173091100
(E)-3-(4-ethoxy-2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177371055
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene?
The IUPAC name of 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene (CID 5385021) is 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene.
What is the SMILES notation for 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene?
The canonical SMILES for 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene is CCOc1ccc(/C=C/S(=O)(=O)/C=C\c2ccccc2)c(OC)c1.
What is the InChIKey of 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene?
The InChIKey is JFCFJZFATQUBQO-HEEUSZRZSA-N. The full InChI is InChI=1S/C19H20O4S/c1-3-23-18-10-9-17(19(15-18)22-2)12-14-24(20,21)13-11-16-7-5-4-6-8-16/h4-15H,3H2,1-2H3/b13-11-,14-12+.
What are the key properties of 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene?
4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene has a molecular weight of 344.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methoxy-1-[(E)-2-[(Z)-2-phenylethenyl]sulfonylethenyl]benzene is sourced from PubChem (CID 5385021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).