benzylbenzene;methoxymethane

C17H24O2 — CID 161110966

IUPACbenzylbenzene;methoxymethane
SMILESCOC.COC.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.2C2H6O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-2/h1-10H,11H2;2*1-2H3
InChIKeyUJRKHCGVSVHASP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.80
Rot. Bonds2

About benzylbenzene;methoxymethane

benzylbenzene;methoxymethane (PubChem CID 161110966) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is benzylbenzene;methoxymethane.

Molecular Properties

Compound Namebenzylbenzene;methoxymethane
PubChem CID161110966
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namebenzylbenzene;methoxymethane
SMILESCOC.COC.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.2C2H6O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-2/h1-10H,11H2;2*1-2H3
InChIKeyUJRKHCGVSVHASP-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzylbenzene;methoxymethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzylbenzene;ethane;methoxymethane
CID 159187560
phenyl(113C)methylbenzene
CID 11194569
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
benzylbenzene;ethane;methanamine
CID 54117827
benzylbenzene;ethoxyethane
CID 69148831
potassium;benzylbenzene;hydride
CID 173011788
benzylbenzene;ethane;methane;methoxymethane;methyl acetate
CID 158415812
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
ethane;ethylbenzene;methoxymethane
CID 91307642
1,4-bis(4-benzylphenyl)benzene
CID 58251041

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;methoxymethane?
The IUPAC name of benzylbenzene;methoxymethane (CID 161110966) is benzylbenzene;methoxymethane.
What is the SMILES notation for benzylbenzene;methoxymethane?
The canonical SMILES for benzylbenzene;methoxymethane is COC.COC.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;methoxymethane?
The InChIKey is UJRKHCGVSVHASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.2C2H6O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-2/h1-10H,11H2;2*1-2H3.
What are the key properties of benzylbenzene;methoxymethane?
benzylbenzene;methoxymethane has a molecular weight of 260.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;methoxymethane is sourced from PubChem (CID 161110966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).