[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol

C15H18Br2O — CID 107947929

IUPAC[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
SMILESOC(/C1=C/CCCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H18Br2O/c16-12-8-9-13(14(17)10-12)15(18)11-6-4-2-1-3-5-7-11/h6,8-10,15,18H,1-5,7H2/b11-6+
InChIKeyHIDYEGVUXKMQIN-IZZDOVSWSA-N
MW374.12 g/mol
LogP5.53
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol

[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol (PubChem CID 107947929) has the molecular formula C15H18Br2O and a molecular weight of 374.12 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
PubChem CID107947929
Molecular FormulaC15H18Br2O
Molecular Weight374.12 g/mol
Exact Mass371.97
IUPAC Name[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
SMILESOC(/C1=C/CCCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H18Br2O/c16-12-8-9-13(14(17)10-12)15(18)11-6-4-2-1-3-5-7-11/h6,8-10,15,18H,1-5,7H2/b11-6+
InChIKeyHIDYEGVUXKMQIN-IZZDOVSWSA-N
XLogP5.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.12
LogP ≤ 55.53
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

(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
1-[(1E)-cycloocten-1-yl]-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107947117
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol
CID 63796459
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 106651068

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol (CID 107947929) is [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol is OC(/C1=C/CCCCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol?
The InChIKey is HIDYEGVUXKMQIN-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H18Br2O/c16-12-8-9-13(14(17)10-12)15(18)11-6-4-2-1-3-5-7-11/h6,8-10,15,18H,1-5,7H2/b11-6+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol?
[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol has a molecular weight of 374.12 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol is sourced from PubChem (CID 107947929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).