4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol

C14H13BrN2O2 — CID 169381526

IUPAC4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
SMILESCOc1cc(Br)c(C=NNc2ccccc2)cc1O
InChIInChI=1S/C14H13BrN2O2/c1-19-14-8-12(15)10(7-13(14)18)9-16-17-11-5-3-2-4-6-11/h2-9,17-18H,1H3
InChIKeyAUXZLSMBZQRFAW-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.61
Rot. Bonds4

About 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol

4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 169381526) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
PubChem CID169381526
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
SMILESCOc1cc(Br)c(C=NNc2ccccc2)cc1O
InChIInChI=1S/C14H13BrN2O2/c1-19-14-8-12(15)10(7-13(14)18)9-16-17-11-5-3-2-4-6-11/h2-9,17-18H,1H3
InChIKeyAUXZLSMBZQRFAW-UHFFFAOYSA-N
XLogP3.61
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383922
4-bromo-2-methoxy-5-[(E)-(sulfanylhydrazinylidene)methyl]phenol
CID 164566061
4-bromo-2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 78699323
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
N-benzyl-2-[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383368
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
CID 169384145

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol (CID 169381526) is 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol is COc1cc(Br)c(C=NNc2ccccc2)cc1O.
What is the InChIKey of 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is AUXZLSMBZQRFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-14-8-12(15)10(7-13(14)18)9-16-17-11-5-3-2-4-6-11/h2-9,17-18H,1H3.
What are the key properties of 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol?
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 321.17 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 169381526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).