(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol

C13H14BrFO — CID 62080016

IUPAC(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14BrFO/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h4,6-8,13,16H,1-3,5H2
InChIKeyVPEOPTJLLWXJEQ-UHFFFAOYSA-N
MW285.16 g/mol
LogP4.12
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol

(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol (PubChem CID 62080016) has the molecular formula C13H14BrFO and a molecular weight of 285.16 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
PubChem CID62080016
Molecular FormulaC13H14BrFO
Molecular Weight285.16 g/mol
Exact Mass284.02
IUPAC Name(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14BrFO/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h4,6-8,13,16H,1-3,5H2
InChIKeyVPEOPTJLLWXJEQ-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 54.12
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]-(3,4,5-trifluorophenyl)methanol
CID 106651057
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 107991218
2-[(4-bromo-3-fluorophenyl)-hydroxymethyl]cyclohex-2-en-1-one
CID 162368620
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
CID 106657822
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
CID 107947929
(4-bromo-3-fluorophenyl)-(3-methylphenyl)methanol
CID 81437315

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol (CID 62080016) is (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol is OC(C1=CCCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol?
The InChIKey is VPEOPTJLLWXJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h4,6-8,13,16H,1-3,5H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol?
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol has a molecular weight of 285.16 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 62080016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).