4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol

C15H18BrNO — CID 4027763

IUPAC4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/CCC1=CCCCC1
InChIInChI=1S/C15H18BrNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h4,6-7,10-11,18H,1-3,5,8-9H2/b17-11+
InChIKeySHUBLRUGSLWYIT-GZTJUZNOSA-N
MW308.22 g/mol
LogP4.46
Rot. Bonds4

About 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol

4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol (PubChem CID 4027763) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol
PubChem CID4027763
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/CCC1=CCCCC1
InChIInChI=1S/C15H18BrNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h4,6-7,10-11,18H,1-3,5,8-9H2/b17-11+
InChIKeySHUBLRUGSLWYIT-GZTJUZNOSA-N
XLogP4.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3,3-dimethyl-4H-isoquinolin-8-ol
CID 136032548
Alpha-(phenethylimino)-O-cresol
CID 4415791
5-Bromo-2-hydroxybenzaldehyde oxime
CID 135497889
4-Bromo-6-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
CID 781683
2-[(Benzylimino)methyl]-4,6-dibromobenzenol
CID 1241574
2,4-Dibromo-6-{[(4-fluorobenzyl)imino]methyl}benzenol
CID 1482590
5-Bromo-3,4-dihydroisoquinolin-8-ol
CID 136002511
4-bromo-2-[(E)-(phenylimino)methyl]phenol
CID 305088
4-bromo-2-[(E)-piperidin-1-yliminomethyl]phenol;phosphoric acid
CID 135401305
6-[(Cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one
CID 86940
4-Bromo-2-{(E)-[((E)-2-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}ethyl)imino]methyl}phenol
CID 1676133
4-bromo-2-[(E)-hydrazinylidenemethyl]phenol
CID 135607960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol (CID 4027763) is 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol is Oc1ccc(Br)cc1/C=N/CCC1=CCCCC1.
What is the InChIKey of 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol?
The InChIKey is SHUBLRUGSLWYIT-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h4,6-7,10-11,18H,1-3,5,8-9H2/b17-11+.
What are the key properties of 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol?
4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol has a molecular weight of 308.22 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(cyclohexen-1-yl)ethyliminomethyl]phenol is sourced from PubChem (CID 4027763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).