1-benzyl-4-ethylbenzene;methane

C16H20 — CID 144571765

IUPAC1-benzyl-4-ethylbenzene;methane
SMILESC.CCc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H16.CH4/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14;/h3-11H,2,12H2,1H3;1H4
InChIKeyHVQNQNYCRMOTIG-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.48
Rot. Bonds3

About 1-benzyl-4-ethylbenzene;methane

1-benzyl-4-ethylbenzene;methane (PubChem CID 144571765) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-benzyl-4-ethylbenzene;methane.

Molecular Properties

Compound Name1-benzyl-4-ethylbenzene;methane
PubChem CID144571765
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-benzyl-4-ethylbenzene;methane
SMILESC.CCc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H16.CH4/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14;/h3-11H,2,12H2,1H3;1H4
InChIKeyHVQNQNYCRMOTIG-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethylcyclodecapentaene
CID 90861705
ethane;ethylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,4-xylene
CID 159108053
ethylbenzene;N-methylmethanamine
CID 19063869
benzene;benzylbenzene;chloromethylbenzene;ethylbenzene
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ethane;ethylbenzene
CID 90887003
1,4-dibenzylbenzene;ethane
CID 91406396
sulfanium ethylbenzene
CID 22726309
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
ethylbenzene;molybdenum
CID 161189179
carbanide;ethane;bis(1-ethyl-4-[(4-ethylphenyl)methyl]benzene);methane;bis(rhodium)
CID 160998250
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethylbenzene;methane?
The IUPAC name of 1-benzyl-4-ethylbenzene;methane (CID 144571765) is 1-benzyl-4-ethylbenzene;methane.
What is the SMILES notation for 1-benzyl-4-ethylbenzene;methane?
The canonical SMILES for 1-benzyl-4-ethylbenzene;methane is C.CCc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-ethylbenzene;methane?
The InChIKey is HVQNQNYCRMOTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.CH4/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14;/h3-11H,2,12H2,1H3;1H4.
What are the key properties of 1-benzyl-4-ethylbenzene;methane?
1-benzyl-4-ethylbenzene;methane has a molecular weight of 212.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethylbenzene;methane is sourced from PubChem (CID 144571765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).