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

C13H14BrClO — CID 106651534

IUPAC(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H14BrClO/c14-11-8-10(6-7-12(11)15)13(16)9-4-2-1-3-5-9/h4,6-8,13,16H,1-3,5H2
InChIKeyHBPGFFYBPARTAF-UHFFFAOYSA-N
MW301.61 g/mol
LogP4.64
Rot. Bonds2

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

(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol (PubChem CID 106651534) has the molecular formula C13H14BrClO and a molecular weight of 301.61 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
PubChem CID106651534
Molecular FormulaC13H14BrClO
Molecular Weight301.61 g/mol
Exact Mass299.99
IUPAC Name(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H14BrClO/c14-11-8-10(6-7-12(11)15)13(16)9-4-2-1-3-5-9/h4,6-8,13,16H,1-3,5H2
InChIKeyHBPGFFYBPARTAF-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.61
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 107991218
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
CID 106657822
N-[(3-bromo-4-chlorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 107998718
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(cyclohexen-1-yl)methanol
CID 106651073
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol (CID 106651534) is (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol is OC(C1=CCCCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol?
The InChIKey is HBPGFFYBPARTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClO/c14-11-8-10(6-7-12(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 (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol?
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol has a molecular weight of 301.61 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 106651534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).