ethylbenzene;1-ethyl-4-methylbenzene;propane

C20H30 — CID 160625021

IUPACethylbenzene;1-ethyl-4-methylbenzene;propane
SMILESCCC.CCc1ccc(C)cc1.CCc1ccccc1
InChIInChI=1S/C9H12.C8H10.C3H8/c1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8;1-3-2/h4-7H,3H2,1-2H3;3-7H,2H2,1H3;3H2,1-2H3
InChIKeyRHEMPIJACKRRBY-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.22
Rot. Bonds2

About ethylbenzene;1-ethyl-4-methylbenzene;propane

ethylbenzene;1-ethyl-4-methylbenzene;propane (PubChem CID 160625021) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is ethylbenzene;1-ethyl-4-methylbenzene;propane.

Molecular Properties

Compound Nameethylbenzene;1-ethyl-4-methylbenzene;propane
PubChem CID160625021
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Nameethylbenzene;1-ethyl-4-methylbenzene;propane
SMILESCCC.CCc1ccc(C)cc1.CCc1ccccc1
InChIInChI=1S/C9H12.C8H10.C3H8/c1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8;1-3-2/h4-7H,3H2,1-2H3;3-7H,2H2,1H3;3H2,1-2H3
InChIKeyRHEMPIJACKRRBY-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-ethyl-4-methylbenzene;propane
CID 144580802
ethane;ethylbenzene;toluene
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ethylbenzene;propane;hydroiodide
CID 142182216
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
ethylbenzene;methylsulfanylmethane;toluene
CID 91366881
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
ethane;ethylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,4-xylene
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CID 175075360

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;1-ethyl-4-methylbenzene;propane?
The IUPAC name of ethylbenzene;1-ethyl-4-methylbenzene;propane (CID 160625021) is ethylbenzene;1-ethyl-4-methylbenzene;propane.
What is the SMILES notation for ethylbenzene;1-ethyl-4-methylbenzene;propane?
The canonical SMILES for ethylbenzene;1-ethyl-4-methylbenzene;propane is CCC.CCc1ccc(C)cc1.CCc1ccccc1.
What is the InChIKey of ethylbenzene;1-ethyl-4-methylbenzene;propane?
The InChIKey is RHEMPIJACKRRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H10.C3H8/c1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8;1-3-2/h4-7H,3H2,1-2H3;3-7H,2H2,1H3;3H2,1-2H3.
What are the key properties of ethylbenzene;1-ethyl-4-methylbenzene;propane?
ethylbenzene;1-ethyl-4-methylbenzene;propane has a molecular weight of 270.46 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;1-ethyl-4-methylbenzene;propane is sourced from PubChem (CID 160625021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).