hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate

C10H13BrN2O3 — CID 82826216

IUPAChydrazinyl 3-[(4-bromophenyl)methoxy]propanoate
SMILESNNOC(=O)CCOCc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O3/c11-9-3-1-8(2-4-9)7-15-6-5-10(14)16-13-12/h1-4,13H,5-7,12H2
InChIKeyJNTHXWDWZJNGOA-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.28
Rot. Bonds6

About hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate

hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate (PubChem CID 82826216) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[(4-bromophenyl)methoxy]propanoate
PubChem CID82826216
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Namehydrazinyl 3-[(4-bromophenyl)methoxy]propanoate
SMILESNNOC(=O)CCOCc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O3/c11-9-3-1-8(2-4-9)7-15-6-5-10(14)16-13-12/h1-4,13H,5-7,12H2
InChIKeyJNTHXWDWZJNGOA-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[(4-bromophenyl)methyl] butanedioate
CID 91729053
methyl 3-[[4-[(3-methoxy-3-oxopropoxy)methyl]phenyl]methoxy]propanoate
CID 142715469
3-[(4-bromophenyl)methoxy]propanethioamide
CID 82827144
5-[(4-bromophenyl)methoxy]pentanoic acid
CID 82827863
hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
CID 114677081
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
hydrazinyl 3-(2-ethoxyethoxy)propanoate
CID 66338748
2-[(4-bromophenyl)methoxy]acetamide
CID 82831352
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
bis[2-(4-bromophenyl)ethyl] pentanedioate
CID 91727849
2-[2-[(4-bromophenyl)methoxy]ethyl]-2-methylbut-3-en-1-ol
CID 122228540

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate?
The IUPAC name of hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate (CID 82826216) is hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate.
What is the SMILES notation for hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate?
The canonical SMILES for hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate is NNOC(=O)CCOCc1ccc(Br)cc1.
What is the InChIKey of hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate?
The InChIKey is JNTHXWDWZJNGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c11-9-3-1-8(2-4-9)7-15-6-5-10(14)16-13-12/h1-4,13H,5-7,12H2.
What are the key properties of hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate?
hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate has a molecular weight of 289.13 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[(4-bromophenyl)methoxy]propanoate is sourced from PubChem (CID 82826216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).