1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C17H18O — CID 21449166

IUPAC1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCCc1ccc(/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18O/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16/h4-13H,3H2,1-2H3/b9-8+
InChIKeyLAHFBMSKRXEQFS-CMDGGOBGSA-N
MW238.33 g/mol
LogP4.43
Rot. Bonds4

About 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 21449166) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID21449166
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCCc1ccc(/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18O/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16/h4-13H,3H2,1-2H3/b9-8+
InChIKeyLAHFBMSKRXEQFS-CMDGGOBGSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 159851450
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960038
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
(4-ethylphenyl)-bis(4-methoxyphenyl)-methylphosphanium
CID 123234194
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
1-ethyl-4-[6-(4-methoxyphenyl)hex-3-en-1,5-diynyl]benzene
CID 54570199

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 21449166) is 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is CCc1ccc(/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is LAHFBMSKRXEQFS-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18O/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16/h4-13H,3H2,1-2H3/b9-8+.
What are the key properties of 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 238.33 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 21449166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).