benzylbenzene;ethoxyethane

C17H22O — CID 69148831

IUPACbenzylbenzene;ethoxyethane
SMILESCCOCC.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.C4H10O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-5-4-2/h1-10H,11H2;3-4H2,1-2H3
InChIKeyMHYCIDYFROUQQM-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.32
Rot. Bonds4

About benzylbenzene;ethoxyethane

benzylbenzene;ethoxyethane (PubChem CID 69148831) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is benzylbenzene;ethoxyethane.

Molecular Properties

Compound Namebenzylbenzene;ethoxyethane
PubChem CID69148831
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Namebenzylbenzene;ethoxyethane
SMILESCCOCC.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.C4H10O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-5-4-2/h1-10H,11H2;3-4H2,1-2H3
InChIKeyMHYCIDYFROUQQM-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzylbenzene;methoxymethane
CID 161110966
phenyl(113C)methylbenzene
CID 11194569
(213C)ethoxymethylbenzene
CID 87947851
benzylbenzene;ethane;methoxymethane
CID 159187560
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
benzyl(trimethyl)azanium;ethoxyethane
CID 88793118
benzylbenzene;ethane;methanamine
CID 54117827
1-benzyl-4-ethylbenzene;methane
CID 144571765
benzylbenzene;propane;toluene
CID 90753545
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
potassium;benzylbenzene;hydride
CID 173011788

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;ethoxyethane?
The IUPAC name of benzylbenzene;ethoxyethane (CID 69148831) is benzylbenzene;ethoxyethane.
What is the SMILES notation for benzylbenzene;ethoxyethane?
The canonical SMILES for benzylbenzene;ethoxyethane is CCOCC.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;ethoxyethane?
The InChIKey is MHYCIDYFROUQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C4H10O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-5-4-2/h1-10H,11H2;3-4H2,1-2H3.
What are the key properties of benzylbenzene;ethoxyethane?
benzylbenzene;ethoxyethane has a molecular weight of 242.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;ethoxyethane is sourced from PubChem (CID 69148831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).