1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine

C17H18Br2N2O2 — CID 169386352

IUPAC1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
SMILESC=CCOc1c(OC)cc(CNNc2ccccc2)c(Br)c1Br
InChIInChI=1S/C17H18Br2N2O2/c1-3-9-23-17-14(22-2)10-12(15(18)16(17)19)11-20-21-13-7-5-4-6-8-13/h3-8,10,20-21H,1,9,11H2,2H3
InChIKeyVUYZWNAXPOACCN-UHFFFAOYSA-N
MW442.15 g/mol
LogP4.90
Rot. Bonds8

About 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine

1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169386352) has the molecular formula C17H18Br2N2O2 and a molecular weight of 442.15 g/mol. Its IUPAC name is 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169386352
Molecular FormulaC17H18Br2N2O2
Molecular Weight442.15 g/mol
Exact Mass439.97
IUPAC Name1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
SMILESC=CCOc1c(OC)cc(CNNc2ccccc2)c(Br)c1Br
InChIInChI=1S/C17H18Br2N2O2/c1-3-9-23-17-14(22-2)10-12(15(18)16(17)19)11-20-21-13-7-5-4-6-8-13/h3-8,10,20-21H,1,9,11H2,2H3
InChIKeyVUYZWNAXPOACCN-UHFFFAOYSA-N
XLogP4.90
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.15
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386351
1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385819
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040
1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385759
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308
2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
CID 169386318
1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386338
(1R)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-1-phenylethanol
CID 8623169

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine (CID 169386352) is 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine is C=CCOc1c(OC)cc(CNNc2ccccc2)c(Br)c1Br.
What is the InChIKey of 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is VUYZWNAXPOACCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O2/c1-3-9-23-17-14(22-2)10-12(15(18)16(17)19)11-20-21-13-7-5-4-6-8-13/h3-8,10,20-21H,1,9,11H2,2H3.
What are the key properties of 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 442.15 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).