(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol

C15H18BrClO — CID 106657539

IUPAC(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
SMILESOC(/C1=C/CCCCCC1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H18BrClO/c16-13-10-6-9-12(14(13)17)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10,15,18H,1-5,8H2/b11-7+
InChIKeyLMNKKENCXKIONN-YRNVUSSQSA-N
MW329.67 g/mol
LogP5.42
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol

(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol (PubChem CID 106657539) has the molecular formula C15H18BrClO and a molecular weight of 329.67 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
PubChem CID106657539
Molecular FormulaC15H18BrClO
Molecular Weight329.67 g/mol
Exact Mass328.02
IUPAC Name(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
SMILESOC(/C1=C/CCCCCC1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H18BrClO/c16-13-10-6-9-12(14(13)17)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10,15,18H,1-5,8H2/b11-7+
InChIKeyLMNKKENCXKIONN-YRNVUSSQSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.67
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509
[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
CID 107947929
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
CID 106651033
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol (CID 106657539) is (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol is OC(/C1=C/CCCCCC1)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol?
The InChIKey is LMNKKENCXKIONN-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H18BrClO/c16-13-10-6-9-12(14(13)17)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10,15,18H,1-5,8H2/b11-7+.
What are the key properties of (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol?
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol has a molecular weight of 329.67 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol is sourced from PubChem (CID 106657539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).