(4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone

C12H15BrOS — CID 79595510

IUPAC(4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)c2cscc2Br)C1
InChIInChI=1S/C12H15BrOS/c1-8-3-2-4-9(5-8)12(14)10-6-15-7-11(10)13/h6-9H,2-5H2,1H3
InChIKeyNTFFCVVIVAOEGB-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.52
Rot. Bonds2

About (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone

(4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone (PubChem CID 79595510) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone
PubChem CID79595510
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name(4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)c2cscc2Br)C1
InChIInChI=1S/C12H15BrOS/c1-8-3-2-4-9(5-8)12(14)10-6-15-7-11(10)13/h6-9H,2-5H2,1H3
InChIKeyNTFFCVVIVAOEGB-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone (CID 79595510) is (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)c2cscc2Br)C1.
What is the InChIKey of (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone?
The InChIKey is NTFFCVVIVAOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrOS/c1-8-3-2-4-9(5-8)12(14)10-6-15-7-11(10)13/h6-9H,2-5H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone?
(4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone has a molecular weight of 287.22 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 79595510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).