1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene

C21H26 — CID 144628046

IUPAC1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(CC)cccc1CCc1cc(C)ccc1C
InChIInChI=1S/C21H26/c1-6-18-8-7-9-19(21(18)15(2)3)12-13-20-14-16(4)10-11-17(20)5/h7-11,14H,2,6,12-13H2,1,3-5H3
InChIKeyVNBJXXNETDPEST-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.68
Rot. Bonds5

About 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene

1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene (PubChem CID 144628046) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene
PubChem CID144628046
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(CC)cccc1CCc1cc(C)ccc1C
InChIInChI=1S/C21H26/c1-6-18-8-7-9-19(21(18)15(2)3)12-13-20-14-16(4)10-11-17(20)5/h7-11,14H,2,6,12-13H2,1,3-5H3
InChIKeyVNBJXXNETDPEST-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene
CID 143310954
1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
CID 160945990
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane
CID 142406851
1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane
CID 143738826
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
1-[1-(2-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 54132203
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene (CID 144628046) is 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene is C=C(C)c1c(CC)cccc1CCc1cc(C)ccc1C.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene?
The InChIKey is VNBJXXNETDPEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-6-18-8-7-9-19(21(18)15(2)3)12-13-20-14-16(4)10-11-17(20)5/h7-11,14H,2,6,12-13H2,1,3-5H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene?
1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene has a molecular weight of 278.44 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 144628046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).