(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol

C14H16BrClO — CID 63427383

IUPAC(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
SMILESOC(C1=CCCCCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H16BrClO/c15-11-7-8-13(16)12(9-11)14(17)10-5-3-1-2-4-6-10/h5,7-9,14,17H,1-4,6H2
InChIKeyXAWHXIBGIKBYBQ-UHFFFAOYSA-N
MW315.64 g/mol
LogP5.03
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol

(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol (PubChem CID 63427383) has the molecular formula C14H16BrClO and a molecular weight of 315.64 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
PubChem CID63427383
Molecular FormulaC14H16BrClO
Molecular Weight315.64 g/mol
Exact Mass314.01
IUPAC Name(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
SMILESOC(C1=CCCCCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H16BrClO/c15-11-7-8-13(16)12(9-11)14(17)10-5-3-1-2-4-6-10/h5,7-9,14,17H,1-4,6H2
InChIKeyXAWHXIBGIKBYBQ-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.64
LogP ≤ 55.03
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

[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
CID 107947929
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509
(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
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(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768
[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
CID 106651543
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol (CID 63427383) is (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol is OC(C1=CCCCCC1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol?
The InChIKey is XAWHXIBGIKBYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClO/c15-11-7-8-13(16)12(9-11)14(17)10-5-3-1-2-4-6-10/h5,7-9,14,17H,1-4,6H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol?
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol has a molecular weight of 315.64 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol is sourced from PubChem (CID 63427383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).