2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol

C16H14BrNO2 — CID 709231

IUPAC2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2cc(Br)ccc2O)c1O
InChIInChI=1S/C16H14BrNO2/c1-2-4-11-5-3-6-12(16(11)20)10-18-14-9-13(17)7-8-15(14)19/h2-3,5-10,19-20H,1,4H2/b18-10+
InChIKeyAVBMFCOVWKTUBV-VCHYOVAHSA-N
MW332.20 g/mol
LogP4.34
Rot. Bonds4

About 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol

2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol (PubChem CID 709231) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol
PubChem CID709231
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2cc(Br)ccc2O)c1O
InChIInChI=1S/C16H14BrNO2/c1-2-4-11-5-3-6-12(16(11)20)10-18-14-9-13(17)7-8-15(14)19/h2-3,5-10,19-20H,1,4H2/b18-10+
InChIKeyAVBMFCOVWKTUBV-VCHYOVAHSA-N
XLogP4.34
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-salicylidene-o-aminophenol
CID 74479
2-(((4-Bromophenyl)imino)methyl)phenol
CID 13448
4-bromo-2-{(E)-[(2-fluorophenyl)imino]methyl}phenol
CID 710140
N-(5-Bromo-2-hydroxybenzylidene)-2-hydroxyaniline
CID 352427
(6E)-4-bromo-6-[(5-tert-butyl-2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 825717
2-{[(2-Hydroxy-5-methylphenyl)imino]methyl}-4-methylphenol
CID 831253
(6E)-6-[(5-ethyl-2-hydroxyanilino)methylidene]-2-methylcyclohexa-2,4-dien-1-one
CID 868611
2-Allyl-6-{[(2-bromo-4-methylphenyl)imino]methyl}phenol
CID 904089
4-bromo-2-[(E)-(phenylimino)methyl]phenol
CID 305088
4-Hexyl-2-(N-(o-hydroxyphenyl)formimidoyl)phenol
CID 204625
4-Bromo-2-(O-tolylimino-methyl)-phenol
CID 271522
Alpha-(3-bromophenylimino)-O-cresol
CID 4277662

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol (CID 709231) is 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol is C=CCc1cccc(/C=N/c2cc(Br)ccc2O)c1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol?
The InChIKey is AVBMFCOVWKTUBV-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-2-4-11-5-3-6-12(16(11)20)10-18-14-9-13(17)7-8-15(14)19/h2-3,5-10,19-20H,1,4H2/b18-10+.
What are the key properties of 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol?
2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol has a molecular weight of 332.20 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxyphenyl)iminomethyl]-6-prop-2-enylphenol is sourced from PubChem (CID 709231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).