2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol

C23H22OS — CID 23597048

IUPAC2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol
SMILESCCc1cc(-c2ccc(/C=C/c3ccccc3)cc2)cc(SC)c1O
InChIInChI=1S/C23H22OS/c1-3-19-15-21(16-22(25-2)23(19)24)20-13-11-18(12-14-20)10-9-17-7-5-4-6-8-17/h4-16,24H,3H2,1-2H3/b10-9+
InChIKeyJHFRAKQDNCFREJ-MDZDMXLPSA-N
MW346.50 g/mol
LogP6.51
Rot. Bonds5

About 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol

2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol (PubChem CID 23597048) has the molecular formula C23H22OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol.

Molecular Properties

Compound Name2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol
PubChem CID23597048
Molecular FormulaC23H22OS
Molecular Weight346.50 g/mol
Exact Mass346.14
IUPAC Name2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol
SMILESCCc1cc(-c2ccc(/C=C/c3ccccc3)cc2)cc(SC)c1O
InChIInChI=1S/C23H22OS/c1-3-19-15-21(16-22(25-2)23(19)24)20-13-11-18(12-14-20)10-9-17-7-5-4-6-8-17/h4-16,24H,3H2,1-2H3/b10-9+
InChIKeyJHFRAKQDNCFREJ-MDZDMXLPSA-N
XLogP6.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium
CID 159447885
4-(4-methylphenyl)-2-methylsulfanyl-6-[(E)-2-phenylethenyl]benzonitrile
CID 102175020
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol
CID 173388059
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 6033287
1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene
CID 142366211
3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline
CID 21061110
4-phenyl-2,6-dipropylphenol
CID 66879307

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol?
The IUPAC name of 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol (CID 23597048) is 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol.
What is the SMILES notation for 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol?
The canonical SMILES for 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol is CCc1cc(-c2ccc(/C=C/c3ccccc3)cc2)cc(SC)c1O.
What is the InChIKey of 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol?
The InChIKey is JHFRAKQDNCFREJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H22OS/c1-3-19-15-21(16-22(25-2)23(19)24)20-13-11-18(12-14-20)10-9-17-7-5-4-6-8-17/h4-16,24H,3H2,1-2H3/b10-9+.
What are the key properties of 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol?
2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol has a molecular weight of 346.50 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol is sourced from PubChem (CID 23597048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).