1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine

C13H15BrN2O — CID 166070571

IUPAC1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine
SMILESCOC1(Br)C=CC(NNc2ccccc2)=CC1
InChIInChI=1S/C13H15BrN2O/c1-17-13(14)9-7-12(8-10-13)16-15-11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3
InChIKeyIGQSKRTWCJZXQD-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine

1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine (PubChem CID 166070571) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine
PubChem CID166070571
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine
SMILESCOC1(Br)C=CC(NNc2ccccc2)=CC1
InChIInChI=1S/C13H15BrN2O/c1-17-13(14)9-7-12(8-10-13)16-15-11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3
InChIKeyIGQSKRTWCJZXQD-UHFFFAOYSA-N
XLogP3.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-2-phenylhydrazine
CID 155699448
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
1,2-diphenylhydrazine;hydrobromide
CID 162337860
5-bromo-5-methoxy-2-phenylcyclohexa-1,3-diene-1-carbaldehyde
CID 174626686
1,2-diphenylhydrazine;hydrazine
CID 161098943
1-dimethoxyphosphoryl-2-phenylhydrazine
CID 117066683
N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 154955110
5-bromo-5-hexoxy-2-phenylcyclohexa-1,3-diene
CID 174534699
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
benzene;N-methoxyaniline
CID 159505017
1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide
CID 175124759
2-benzyl-5,5-dimethoxycyclohexa-1,3-diene
CID 25066529

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine?
The IUPAC name of 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine (CID 166070571) is 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine.
What is the SMILES notation for 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine?
The canonical SMILES for 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine is COC1(Br)C=CC(NNc2ccccc2)=CC1.
What is the InChIKey of 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine?
The InChIKey is IGQSKRTWCJZXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-17-13(14)9-7-12(8-10-13)16-15-11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3.
What are the key properties of 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine?
1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine has a molecular weight of 295.18 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-4-methoxycyclohexa-1,5-dien-1-yl)-2-phenylhydrazine is sourced from PubChem (CID 166070571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).