1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene

C26H30 — CID 142480467

IUPAC1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene
SMILESC=Cc1cccc(Cc2ccccc2CC)c1C.CCc1ccccc1
InChIInChI=1S/C18H20.C8H10/c1-4-15-11-8-12-17(14(15)3)13-18-10-7-6-9-16(18)5-2;1-2-8-6-4-3-5-7-8/h4,6-12H,1,5,13H2,2-3H3;3-7H,2H2,1H3
InChIKeyZPPACAGRXFMSLE-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.04
Rot. Bonds5

About 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene

1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene (PubChem CID 142480467) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene.

Molecular Properties

Compound Name1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene
PubChem CID142480467
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene
SMILESC=Cc1cccc(Cc2ccccc2CC)c1C.CCc1ccccc1
InChIInChI=1S/C18H20.C8H10/c1-4-15-11-8-12-17(14(15)3)13-18-10-7-6-9-16(18)5-2;1-2-8-6-4-3-5-7-8/h4,6-12H,1,5,13H2,2-3H3;3-7H,2H2,1H3
InChIKeyZPPACAGRXFMSLE-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-diethylbenzene;ethylbenzene;molybdenum
CID 174058694
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-(chloromethyl)-3-ethenyl-2-methylbenzene
CID 19022880
(3-ethenyl-2-methylphenyl)methanamine
CID 155364833
ethylbenzene;1-phenylprop-2-en-1-one
CID 174476898
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
1-ethenyl-3,4-diethyl-2-methylbenzene
CID 54110697
ethylcyclodecapentaene
CID 90861705
ethylbenzene;methane;styrene;hydrate
CID 169425917
ethane;1-ethenyl-2-ethylbenzene;1,1,1-trifluoroethane
CID 145463333
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene?
The IUPAC name of 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene (CID 142480467) is 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene.
What is the SMILES notation for 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene?
The canonical SMILES for 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene is C=Cc1cccc(Cc2ccccc2CC)c1C.CCc1ccccc1.
What is the InChIKey of 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene?
The InChIKey is ZPPACAGRXFMSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.C8H10/c1-4-15-11-8-12-17(14(15)3)13-18-10-7-6-9-16(18)5-2;1-2-8-6-4-3-5-7-8/h4,6-12H,1,5,13H2,2-3H3;3-7H,2H2,1H3.
What are the key properties of 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene?
1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene has a molecular weight of 342.53 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene is sourced from PubChem (CID 142480467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).