(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone

C14H19BrOS — CID 114976416

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2cc(C)c(Br)s2)C1
InChIInChI=1S/C14H19BrOS/c1-3-10-5-4-6-11(8-10)13(16)12-7-9(2)14(15)17-12/h7,10-11H,3-6,8H2,1-2H3
InChIKeyJAOVEVSHLUIZEC-UHFFFAOYSA-N
MW315.28 g/mol
LogP5.22
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone

(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone (PubChem CID 114976416) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone
PubChem CID114976416
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2cc(C)c(Br)s2)C1
InChIInChI=1S/C14H19BrOS/c1-3-10-5-4-6-11(8-10)13(16)12-7-9(2)14(15)17-12/h7,10-11H,3-6,8H2,1-2H3
InChIKeyJAOVEVSHLUIZEC-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.28
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79990878
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
cyclobutyl-(4,5-dibromothiophen-2-yl)methanone
CID 80532639
(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 116581278
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
(4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone
CID 114976354
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79964366
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176609
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone (CID 114976416) is (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)c2cc(C)c(Br)s2)C1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone?
The InChIKey is JAOVEVSHLUIZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c1-3-10-5-4-6-11(8-10)13(16)12-7-9(2)14(15)17-12/h7,10-11H,3-6,8H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone has a molecular weight of 315.28 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 114976416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).