2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol

C11H14Br2N2O2 — CID 110507487

IUPAC2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCCOc1c(Br)cc(/C=N/NCCO)cc1Br
InChIInChI=1S/C11H14Br2N2O2/c1-2-17-11-9(12)5-8(6-10(11)13)7-15-14-3-4-16/h5-7,14,16H,2-4H2,1H3/b15-7+
InChIKeyLJHNAOBCLKQCPV-VIZOYTHASA-N
MW366.05 g/mol
LogP2.53
Rot. Bonds6

About 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol

2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol (PubChem CID 110507487) has the molecular formula C11H14Br2N2O2 and a molecular weight of 366.05 g/mol. Its IUPAC name is 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol
PubChem CID110507487
Molecular FormulaC11H14Br2N2O2
Molecular Weight366.05 g/mol
Exact Mass363.94
IUPAC Name2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCCOc1c(Br)cc(/C=N/NCCO)cc1Br
InChIInChI=1S/C11H14Br2N2O2/c1-2-17-11-9(12)5-8(6-10(11)13)7-15-14-3-4-16/h5-7,14,16H,2-4H2,1H3/b15-7+
InChIKeyLJHNAOBCLKQCPV-VIZOYTHASA-N
XLogP2.53
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840069
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-chloroaniline
CID 110506158
N-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-3,4-dichloroaniline
CID 110840568
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839808
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]ethanol
CID 110507462
3-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136788957
4-[2-[(3-bromo-4,5-diethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841167
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376714
3-[(3,5-dibromo-4-ethoxyphenyl)methylamino]propan-1-ol
CID 43220362
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 124537175
N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246143

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol (CID 110507487) is 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol is CCOc1c(Br)cc(/C=N/NCCO)cc1Br.
What is the InChIKey of 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is LJHNAOBCLKQCPV-VIZOYTHASA-N. The full InChI is InChI=1S/C11H14Br2N2O2/c1-2-17-11-9(12)5-8(6-10(11)13)7-15-14-3-4-16/h5-7,14,16H,2-4H2,1H3/b15-7+.
What are the key properties of 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol?
2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 366.05 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110507487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).