1-ethoxy-4-(2-phenylethenyl)benzene

C16H16O — CID 54277622

IUPAC1-ethoxy-4-(2-phenylethenyl)benzene
SMILESCCOc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C16H16O/c1-2-17-16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyRLRCWQWSORLJCF-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.26
Rot. Bonds4

About 1-ethoxy-4-(2-phenylethenyl)benzene

1-ethoxy-4-(2-phenylethenyl)benzene (PubChem CID 54277622) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-ethoxy-4-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(2-phenylethenyl)benzene
PubChem CID54277622
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-ethoxy-4-(2-phenylethenyl)benzene
SMILESCCOc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C16H16O/c1-2-17-16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyRLRCWQWSORLJCF-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-4-(2-phenylethenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
4-ethoxy-N-(3-phenylprop-2-enyl)aniline
CID 4202531
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960250
5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
CID 142200300
triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
CID 6604856
ethoxybenzene chloride
CID 21193593
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6367904

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(2-phenylethenyl)benzene?
The IUPAC name of 1-ethoxy-4-(2-phenylethenyl)benzene (CID 54277622) is 1-ethoxy-4-(2-phenylethenyl)benzene.
What is the SMILES notation for 1-ethoxy-4-(2-phenylethenyl)benzene?
The canonical SMILES for 1-ethoxy-4-(2-phenylethenyl)benzene is CCOc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 1-ethoxy-4-(2-phenylethenyl)benzene?
The InChIKey is RLRCWQWSORLJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-17-16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3.
What are the key properties of 1-ethoxy-4-(2-phenylethenyl)benzene?
1-ethoxy-4-(2-phenylethenyl)benzene has a molecular weight of 224.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(2-phenylethenyl)benzene is sourced from PubChem (CID 54277622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).