1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene

C20H24 — CID 153358848

IUPAC1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene
SMILESCC=C(C)c1cccc(CCc2ccc(C)cc2C)c1
InChIInChI=1S/C20H24/c1-5-16(3)20-8-6-7-18(14-20)10-12-19-11-9-15(2)13-17(19)4/h5-9,11,13-14H,10,12H2,1-4H3
InChIKeyYGCKRWCOOJLDMU-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.51
Rot. Bonds4

About 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene

1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene (PubChem CID 153358848) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene
PubChem CID153358848
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene
SMILESCC=C(C)c1cccc(CCc2ccc(C)cc2C)c1
InChIInChI=1S/C20H24/c1-5-16(3)20-8-6-7-18(14-20)10-12-19-11-9-15(2)13-17(19)4/h5-9,11,13-14H,10,12H2,1-4H3
InChIKeyYGCKRWCOOJLDMU-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
CID 177145999
2-[2-(2,4-dimethylphenyl)ethyl]-6-propylpyridine
CID 169160403
2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene
CID 123452679
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene (CID 153358848) is 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene is CC=C(C)c1cccc(CCc2ccc(C)cc2C)c1.
What is the InChIKey of 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene?
The InChIKey is YGCKRWCOOJLDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-5-16(3)20-8-6-7-18(14-20)10-12-19-11-9-15(2)13-17(19)4/h5-9,11,13-14H,10,12H2,1-4H3.
What are the key properties of 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene?
1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene has a molecular weight of 264.41 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 153358848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).