3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol

C14H11Br2NO3 — CID 3465269

IUPAC3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol
SMILESCOc1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O
InChIInChI=1S/C14H11Br2NO3/c1-20-12-4-2-3-8(14(12)19)7-17-13-10(15)5-9(18)6-11(13)16/h2-7,18-19H,1H3/b17-7+
InChIKeyDPNVTKYNZNBBLD-REZTVBANSA-N
MW401.05 g/mol
LogP4.38
Rot. Bonds3

About 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol

3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol (PubChem CID 3465269) has the molecular formula C14H11Br2NO3 and a molecular weight of 401.05 g/mol. Its IUPAC name is 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol
PubChem CID3465269
Molecular FormulaC14H11Br2NO3
Molecular Weight401.05 g/mol
Exact Mass398.91
IUPAC Name3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol
SMILESCOc1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O
InChIInChI=1S/C14H11Br2NO3/c1-20-12-4-2-3-8(14(12)19)7-17-13-10(15)5-9(18)6-11(13)16/h2-7,18-19H,1H3/b17-7+
InChIKeyDPNVTKYNZNBBLD-REZTVBANSA-N
XLogP4.38
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.05
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
CID 3465274
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol?
The IUPAC name of 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol (CID 3465269) is 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol.
What is the SMILES notation for 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol?
The canonical SMILES for 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol is COc1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O.
What is the InChIKey of 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol?
The InChIKey is DPNVTKYNZNBBLD-REZTVBANSA-N. The full InChI is InChI=1S/C14H11Br2NO3/c1-20-12-4-2-3-8(14(12)19)7-17-13-10(15)5-9(18)6-11(13)16/h2-7,18-19H,1H3/b17-7+.
What are the key properties of 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol?
3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol has a molecular weight of 401.05 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol is sourced from PubChem (CID 3465269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).