1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene

C18H20 — CID 173096037

IUPAC1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
SMILESCCc1ccccc1/C=C/c1ccccc1CC
InChIInChI=1S/C18H20/c1-3-15-9-5-7-11-17(15)13-14-18-12-8-6-10-16(18)4-2/h5-14H,3-4H2,1-2H3/b14-13+
InChIKeyMKKBZJXTNBYHCL-BUHFOSPRSA-N
MW236.36 g/mol
LogP4.98
Rot. Bonds4

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

1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene (PubChem CID 173096037) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
PubChem CID173096037
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
SMILESCCc1ccccc1/C=C/c1ccccc1CC
InChIInChI=1S/C18H20/c1-3-15-9-5-7-11-17(15)13-14-18-12-8-6-10-16(18)4-2/h5-14H,3-4H2,1-2H3/b14-13+
InChIKeyMKKBZJXTNBYHCL-BUHFOSPRSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
CID 102216000
2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
CID 54435957
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
3-(2-ethylphenyl)prop-2-enenitrile
CID 76943440
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
CID 142194748
1-(4-bromobut-1-enyl)-2-ethylbenzene
CID 170497012
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
(2-ethylphenyl)methanimine
CID 58827978
1,2-diethylbenzene;hydrobromide
CID 174973685
1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
CID 171562977

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene?
The IUPAC name of 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene (CID 173096037) is 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene?
The canonical SMILES for 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene is CCc1ccccc1/C=C/c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene?
The InChIKey is MKKBZJXTNBYHCL-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H20/c1-3-15-9-5-7-11-17(15)13-14-18-12-8-6-10-16(18)4-2/h5-14H,3-4H2,1-2H3/b14-13+.
What are the key properties of 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene?
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene is sourced from PubChem (CID 173096037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).