4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol

C14H18BrNO2 — CID 137314179

IUPAC4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/OCC1CCCCC1
InChIInChI=1S/C14H18BrNO2/c15-13-6-7-14(17)12(8-13)9-16-18-10-11-4-2-1-3-5-11/h6-9,11,17H,1-5,10H2/b16-9+
InChIKeyXWLCDUQVXOGVEJ-CXUHLZMHSA-N
MW312.21 g/mol
LogP4.09
Rot. Bonds4

About 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol

4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol (PubChem CID 137314179) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol
PubChem CID137314179
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/OCC1CCCCC1
InChIInChI=1S/C14H18BrNO2/c15-13-6-7-14(17)12(8-13)9-16-18-10-11-4-2-1-3-5-11/h6-9,11,17H,1-5,10H2/b16-9+
InChIKeyXWLCDUQVXOGVEJ-CXUHLZMHSA-N
XLogP4.09
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol
CID 136832239
2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetonitrile
CID 137279063
4-bromo-2-[(E)-but-3-ynoxyiminomethyl]phenol
CID 137314174
4-bromo-2-[(E)-hept-4-ynoxyiminomethyl]phenol
CID 137304156
4-bromo-2-[[(2R)-oxolan-2-yl]methyliminomethyl]phenol
CID 691917
4-bromo-2-[(4-hydroxycyclohexyl)iminomethyl]phenol
CID 135595528
4-bromo-2-[(E)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]phenol
CID 135692380
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
4-bromo-2-cyclohexylphenol
CID 22134516
4-bromo-2-[cyclohexyl(hydroxy)methyl]phenol
CID 54143973
2-(1-adamantyliminomethyl)-4-bromophenol
CID 4047125

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol (CID 137314179) is 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol is Oc1ccc(Br)cc1/C=N/OCC1CCCCC1.
What is the InChIKey of 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol?
The InChIKey is XWLCDUQVXOGVEJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-13-6-7-14(17)12(8-13)9-16-18-10-11-4-2-1-3-5-11/h6-9,11,17H,1-5,10H2/b16-9+.
What are the key properties of 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol?
4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol has a molecular weight of 312.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-cyclohexylmethoxyiminomethyl]phenol is sourced from PubChem (CID 137314179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).