phenyl(113C)methylbenzene

C13H12 — CID 11194569

IUPACphenyl(113C)methylbenzene
SMILESc1ccc([13CH2]c2ccccc2)cc1
InChIInChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2/i11+1
InChIKeyCZZYITDELCSZES-KHWBWMQUSA-N
MW169.23 g/mol
LogP3.28
Rot. Bonds2

About phenyl(113C)methylbenzene

phenyl(113C)methylbenzene (PubChem CID 11194569) has the molecular formula C13H12 and a molecular weight of 169.23 g/mol. Its IUPAC name is phenyl(113C)methylbenzene.

Molecular Properties

Compound Namephenyl(113C)methylbenzene
PubChem CID11194569
Molecular FormulaC13H12
Molecular Weight169.23 g/mol
Exact Mass169.10
IUPAC Namephenyl(113C)methylbenzene
SMILESc1ccc([13CH2]c2ccccc2)cc1
InChIInChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2/i11+1
InChIKeyCZZYITDELCSZES-KHWBWMQUSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

potassium;benzylbenzene;hydride
CID 173011788
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
benzylbenzene;ethane;methanamine
CID 54117827
benzylbenzene;methoxymethane
CID 161110966
1,4-bis(4-benzylphenyl)benzene
CID 58251041
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
benzylbenzene;ethane;methoxymethane
CID 159187560
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
benzylbenzene;thiocyanic acid
CID 172833701
benzylbenzene;isocyanic acid
CID 172862527

Frequently Asked Questions

What is the IUPAC name of phenyl(113C)methylbenzene?
The IUPAC name of phenyl(113C)methylbenzene (CID 11194569) is phenyl(113C)methylbenzene.
What is the SMILES notation for phenyl(113C)methylbenzene?
The canonical SMILES for phenyl(113C)methylbenzene is c1ccc([13CH2]c2ccccc2)cc1.
What is the InChIKey of phenyl(113C)methylbenzene?
The InChIKey is CZZYITDELCSZES-KHWBWMQUSA-N. The full InChI is InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2/i11+1.
What are the key properties of phenyl(113C)methylbenzene?
phenyl(113C)methylbenzene has a molecular weight of 169.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(113C)methylbenzene is sourced from PubChem (CID 11194569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).