4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol

C15H14BrNO — CID 135657383

IUPAC4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
SMILESCCc1cccc(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H14BrNO/c1-2-11-4-3-5-14(8-11)17-10-12-9-13(16)6-7-15(12)18/h3-10,18H,2H2,1H3/b17-10+
InChIKeyGJOBWBLIUFJOGH-LICLKQGHSA-N
MW304.19 g/mol
LogP4.47
Rot. Bonds3

About 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol

4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol (PubChem CID 135657383) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
PubChem CID135657383
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
SMILESCCc1cccc(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H14BrNO/c1-2-11-4-3-5-14(8-11)17-10-12-9-13(16)6-7-15(12)18/h3-10,18H,2H2,1H3/b17-10+
InChIKeyGJOBWBLIUFJOGH-LICLKQGHSA-N
XLogP4.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-4-ethylphenol
CID 2848184
4-bromo-2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 3546210
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 721960
4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657402
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]acetonitrile
CID 2796509
1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one
CID 3562174
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
CID 1355768
dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol (CID 135657383) is 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol is CCc1cccc(/N=C/c2cc(Br)ccc2O)c1.
What is the InChIKey of 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol?
The InChIKey is GJOBWBLIUFJOGH-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-2-11-4-3-5-14(8-11)17-10-12-9-13(16)6-7-15(12)18/h3-10,18H,2H2,1H3/b17-10+.
What are the key properties of 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol?
4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol has a molecular weight of 304.19 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135657383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).