1-[diazo(phenyl)methyl]-4-methylbenzene

C14H12N2 — CID 12641746

IUPAC1-[diazo(phenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(=[N+]=[N-])c2ccccc2)cc1
InChIInChI=1S/C14H12N2/c1-11-7-9-13(10-8-11)14(16-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyKAKFLNBUNGXYPD-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.06
Rot. Bonds2

About 1-[diazo(phenyl)methyl]-4-methylbenzene

1-[diazo(phenyl)methyl]-4-methylbenzene (PubChem CID 12641746) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[diazo(phenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[diazo(phenyl)methyl]-4-methylbenzene
PubChem CID12641746
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-[diazo(phenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(=[N+]=[N-])c2ccccc2)cc1
InChIInChI=1S/C14H12N2/c1-11-7-9-13(10-8-11)14(16-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyKAKFLNBUNGXYPD-UHFFFAOYSA-N
XLogP3.06
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
benzoic acid;4-methylbenzoic acid
CID 71272637
4-[diazo-(4-hydroxyphenyl)methyl]phenol
CID 21162866
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
benzene;bis(1,4-xylene)
CID 159472747
1-(1-diazo-2,2-dimethylpropyl)-4-methylbenzene
CID 71341126
(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630

Frequently Asked Questions

What is the IUPAC name of 1-[diazo(phenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[diazo(phenyl)methyl]-4-methylbenzene (CID 12641746) is 1-[diazo(phenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[diazo(phenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[diazo(phenyl)methyl]-4-methylbenzene is Cc1ccc(C(=[N+]=[N-])c2ccccc2)cc1.
What is the InChIKey of 1-[diazo(phenyl)methyl]-4-methylbenzene?
The InChIKey is KAKFLNBUNGXYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-7-9-13(10-8-11)14(16-15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 1-[diazo(phenyl)methyl]-4-methylbenzene?
1-[diazo(phenyl)methyl]-4-methylbenzene has a molecular weight of 208.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diazo(phenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 12641746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).