5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene

C19H22 — CID 123465075

IUPAC5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(-c2cccc(CC)c2)cc(C)c1C
InChIInChI=1S/C19H22/c1-6-16-8-7-9-17(11-16)18-10-14(4)15(5)19(12-18)13(2)3/h7-12H,2,6H2,1,3-5H3
InChIKeyYQJFGRDOHQQLQM-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.57
Rot. Bonds3

About 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene

5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene (PubChem CID 123465075) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene
PubChem CID123465075
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(-c2cccc(CC)c2)cc(C)c1C
InChIInChI=1S/C19H22/c1-6-16-8-7-9-17(11-16)18-10-14(4)15(5)19(12-18)13(2)3/h7-12H,2,6H2,1,3-5H3
InChIKeyYQJFGRDOHQQLQM-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-(3-ethylphenyl)-2-methylbenzaldehyde
CID 174256468
4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
CID 142939514
1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
CID 176581839
3-ethylphenol;3,4,5-trimethylphenol
CID 174466611
4-(3-ethylphenyl)-1-methyl-2-propylbenzene
CID 145461377
2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
CID 145154814
4-(3-butylphenyl)-2,6-dimethylphenol
CID 157070879
1-[3-(3-ethylphenyl)phenyl]ethanimine
CID 145495072
bis(1-ethyl-3-prop-2-ynylbenzene);bis(2-methylprop-1-ene)
CID 157132048

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene?
The IUPAC name of 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene (CID 123465075) is 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene is C=C(C)c1cc(-c2cccc(CC)c2)cc(C)c1C.
What is the InChIKey of 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene?
The InChIKey is YQJFGRDOHQQLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-6-16-8-7-9-17(11-16)18-10-14(4)15(5)19(12-18)13(2)3/h7-12H,2,6H2,1,3-5H3.
What are the key properties of 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene?
5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene has a molecular weight of 250.38 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-1,2-dimethyl-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 123465075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).