3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol

C15H14BrNO3 — CID 71417095

IUPAC3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(/N=C/c2cc(O)c(OC)c(Br)c2)cc1
InChIInChI=1S/C15H14BrNO3/c1-19-12-5-3-11(4-6-12)17-9-10-7-13(16)15(20-2)14(18)8-10/h3-9,18H,1-2H3/b17-9+
InChIKeyOZHCTBQSUSXNHB-RQZCQDPDSA-N
MW336.19 g/mol
LogP3.92
Rot. Bonds4

About 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol

3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol (PubChem CID 71417095) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol
PubChem CID71417095
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(/N=C/c2cc(O)c(OC)c(Br)c2)cc1
InChIInChI=1S/C15H14BrNO3/c1-19-12-5-3-11(4-6-12)17-9-10-7-13(16)15(20-2)14(18)8-10/h3-9,18H,1-2H3/b17-9+
InChIKeyOZHCTBQSUSXNHB-RQZCQDPDSA-N
XLogP3.92
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-bromo-4-[(4-hydroxyphenyl)iminomethyl]-6-methoxyphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 164824274
5-bromo-2-methoxy-4-[(4-methoxyphenyl)iminomethyl]phenol
CID 137062216
[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126217491
2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218291
5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 50885112
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
1-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126216053
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol
CID 137138656
1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126205744

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol?
The IUPAC name of 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol (CID 71417095) is 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol is COc1ccc(/N=C/c2cc(O)c(OC)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol?
The InChIKey is OZHCTBQSUSXNHB-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-12-5-3-11(4-6-12)17-9-10-7-13(16)15(20-2)14(18)8-10/h3-9,18H,1-2H3/b17-9+.
What are the key properties of 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol?
3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol has a molecular weight of 336.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 71417095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).