(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol

C12H15BrOS — CID 106657822

IUPAC(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
SMILESOC(C1=CCCCCC1)c1csc(Br)c1
InChIInChI=1S/C12H15BrOS/c13-11-7-10(8-15-11)12(14)9-5-3-1-2-4-6-9/h5,7-8,12,14H,1-4,6H2
InChIKeyAYNCIJIMYOKPGV-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.43
Rot. Bonds2

About (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol

(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol (PubChem CID 106657822) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
PubChem CID106657822
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
SMILESOC(C1=CCCCCC1)c1csc(Br)c1
InChIInChI=1S/C12H15BrOS/c13-11-7-10(8-15-11)12(14)9-5-3-1-2-4-6-9/h5,7-8,12,14H,1-4,6H2
InChIKeyAYNCIJIMYOKPGV-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-bromothiophen-3-yl)-(cyclohepten-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

cyclopenten-1-yl-(5-iodothiophen-3-yl)methanol
CID 79684542
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
N-[(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methyl]ethanamine
CID 106657198
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
CID 106651291
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol
CID 63796459
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-[(1E)-cycloocten-1-yl]methanol
CID 106651072
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol (CID 106657822) is (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol is OC(C1=CCCCCC1)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol?
The InChIKey is AYNCIJIMYOKPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrOS/c13-11-7-10(8-15-11)12(14)9-5-3-1-2-4-6-9/h5,7-8,12,14H,1-4,6H2.
What are the key properties of (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol?
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol has a molecular weight of 287.22 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol is sourced from PubChem (CID 106657822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).