1-benzyl-4-methoxybenzene;molecular nitrogen

C14H14N2O — CID 175140604

IUPAC1-benzyl-4-methoxybenzene;molecular nitrogen
SMILESCOc1ccc(Cc2ccccc2)cc1.N#N
InChIInChI=1S/C14H14O.N2/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-10H,11H2,1H3;
InChIKeyWSPMJBQZIJTHLT-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.32
Rot. Bonds3

About 1-benzyl-4-methoxybenzene;molecular nitrogen

1-benzyl-4-methoxybenzene;molecular nitrogen (PubChem CID 175140604) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-benzyl-4-methoxybenzene;molecular nitrogen.

Molecular Properties

Compound Name1-benzyl-4-methoxybenzene;molecular nitrogen
PubChem CID175140604
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-benzyl-4-methoxybenzene;molecular nitrogen
SMILESCOc1ccc(Cc2ccccc2)cc1.N#N
InChIInChI=1S/C14H14O.N2/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-10H,11H2,1H3;
InChIKeyWSPMJBQZIJTHLT-UHFFFAOYSA-N
XLogP3.32
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
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1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
benzylbenzene;methoxymethane
CID 161110966
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
benzylbenzene;ethane;methoxymethane
CID 159187560
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxybenzene;molecular nitrogen?
The IUPAC name of 1-benzyl-4-methoxybenzene;molecular nitrogen (CID 175140604) is 1-benzyl-4-methoxybenzene;molecular nitrogen.
What is the SMILES notation for 1-benzyl-4-methoxybenzene;molecular nitrogen?
The canonical SMILES for 1-benzyl-4-methoxybenzene;molecular nitrogen is COc1ccc(Cc2ccccc2)cc1.N#N.
What is the InChIKey of 1-benzyl-4-methoxybenzene;molecular nitrogen?
The InChIKey is WSPMJBQZIJTHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.N2/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-10H,11H2,1H3;.
What are the key properties of 1-benzyl-4-methoxybenzene;molecular nitrogen?
1-benzyl-4-methoxybenzene;molecular nitrogen has a molecular weight of 226.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxybenzene;molecular nitrogen is sourced from PubChem (CID 175140604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).