1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene

C15H14N2O2 — CID 4544348

IUPAC1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(=[N+]=[N-])c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H14N2O2/c1-18-13-7-3-11(4-8-13)15(17-16)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
InChIKeyOWRNAWGCEAUIOY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.77
Rot. Bonds4

About 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene

1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene (PubChem CID 4544348) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene
PubChem CID4544348
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(=[N+]=[N-])c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H14N2O2/c1-18-13-7-3-11(4-8-13)15(17-16)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
InChIKeyOWRNAWGCEAUIOY-UHFFFAOYSA-N
XLogP2.77
TPSA54.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene?
The IUPAC name of 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene (CID 4544348) is 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene is COc1ccc(C(=[N+]=[N-])c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene?
The InChIKey is OWRNAWGCEAUIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-13-7-3-11(4-8-13)15(17-16)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3.
What are the key properties of 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene?
1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene has a molecular weight of 254.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diazo-(4-methoxyphenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 4544348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).