1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene

C20H22 — CID 156896551

IUPAC1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene
SMILESC=Cc1ccccc1/C(=C(\C)C(C)C)c1ccccc1
InChIInChI=1S/C20H22/c1-5-17-11-9-10-14-19(17)20(16(4)15(2)3)18-12-7-6-8-13-18/h5-15H,1H2,2-4H3/b20-16+
InChIKeyLLBAWSIJVZHGRU-CAPFRKAQSA-N
MW262.40 g/mol
LogP5.81
Rot. Bonds4

About 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene

1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene (PubChem CID 156896551) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene.

Molecular Properties

Compound Name1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene
PubChem CID156896551
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene
SMILESC=Cc1ccccc1/C(=C(\C)C(C)C)c1ccccc1
InChIInChI=1S/C20H22/c1-5-17-11-9-10-14-19(17)20(16(4)15(2)3)18-12-7-6-8-13-18/h5-15H,1H2,2-4H3/b20-16+
InChIKeyLLBAWSIJVZHGRU-CAPFRKAQSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,3-dimethyl-1-phenylbut-1-enyl)benzene
CID 15438795
ethane;bis(1-ethenyl-2-prop-1-en-2-ylbenzene)
CID 144540747
2-ethenylbenzoic acid;prop-1-en-2-ylbenzene
CID 174866821
ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
CID 143293542
1-(2-ethenylphenyl)ethanone;prop-2-enoic acid
CID 175101646
1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene
CID 177234984
1-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 172775927
benzoic acid;2-ethenylbenzoic acid
CID 158841861
2-ethenylbenzoic acid;europium
CID 174925184
(Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid
CID 21425657
calcium;2-ethenylbenzoic acid;hydride
CID 174462542
1-[2-(2-ethenylphenyl)phenyl]ethanone
CID 102225851

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene?
The IUPAC name of 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene (CID 156896551) is 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene.
What is the SMILES notation for 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene?
The canonical SMILES for 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene is C=Cc1ccccc1/C(=C(\C)C(C)C)c1ccccc1.
What is the InChIKey of 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene?
The InChIKey is LLBAWSIJVZHGRU-CAPFRKAQSA-N. The full InChI is InChI=1S/C20H22/c1-5-17-11-9-10-14-19(17)20(16(4)15(2)3)18-12-7-6-8-13-18/h5-15H,1H2,2-4H3/b20-16+.
What are the key properties of 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene?
1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene has a molecular weight of 262.40 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene is sourced from PubChem (CID 156896551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).