4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol

C13H16BrNO2 — CID 135595528

IUPAC4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/C1CCC(O)CC1
InChIInChI=1S/C13H16BrNO2/c14-10-1-6-13(17)9(7-10)8-15-11-2-4-12(16)5-3-11/h1,6-8,11-12,16-17H,2-5H2/b15-8+
InChIKeyGHBVYJSBONMENV-OVCLIPMQSA-N
MW298.18 g/mol
LogP2.88
Rot. Bonds2

About 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol

4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol (PubChem CID 135595528) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol
PubChem CID135595528
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/C1CCC(O)CC1
InChIInChI=1S/C13H16BrNO2/c14-10-1-6-13(17)9(7-10)8-15-11-2-4-12(16)5-3-11/h1,6-8,11-12,16-17H,2-5H2/b15-8+
InChIKeyGHBVYJSBONMENV-OVCLIPMQSA-N
XLogP2.88
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropyliminomethyl)phenol
CID 5242286
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]iminomethyl]-4-bromophenol
CID 135598301
2-[[3-[(2-hydroxy-5-phenylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-phenylphenol
CID 137159907
4-bromo-2-[[(2R)-oxolan-2-yl]methyliminomethyl]phenol
CID 691917
4-bromo-2-[(E)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]phenol
CID 135692380
zinc bis(2,4-dibromo-6-(cyclopropyliminomethyl)phenolate)
CID 139072224
2-(1-adamantyliminomethyl)-4-bromophenol
CID 4047125
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
(2S,3R,4R,5S,6R)-3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 137279011
4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol
CID 137314179

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol (CID 135595528) is 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/C1CCC(O)CC1.
What is the InChIKey of 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol?
The InChIKey is GHBVYJSBONMENV-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-10-1-6-13(17)9(7-10)8-15-11-2-4-12(16)5-3-11/h1,6-8,11-12,16-17H,2-5H2/b15-8+.
What are the key properties of 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol?
4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol has a molecular weight of 298.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol is sourced from PubChem (CID 135595528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).