1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone

C15H19BrO2S — CID 64635308

IUPAC1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
SMILESCC1CCCC(S(=O)CC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H19BrO2S/c1-11-4-2-7-14(8-11)19(18)10-15(17)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3
InChIKeyIQMHNELBWZNNMW-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.96
Rot. Bonds4

About 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone

1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone (PubChem CID 64635308) has the molecular formula C15H19BrO2S and a molecular weight of 343.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
PubChem CID64635308
Molecular FormulaC15H19BrO2S
Molecular Weight343.29 g/mol
Exact Mass342.03
IUPAC Name1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
SMILESCC1CCCC(S(=O)CC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H19BrO2S/c1-11-4-2-7-14(8-11)19(18)10-15(17)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3
InChIKeyIQMHNELBWZNNMW-UHFFFAOYSA-N
XLogP3.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
CID 64639173
1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
CID 64639949
1-(3-bromo-4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64637769
2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64637194
1-(3-bromophenyl)-2-(cyclopentylmethylsulfinyl)ethanone
CID 64640185
1-(3-bromophenyl)-3-(4-methylazepan-1-yl)propan-1-one
CID 63624671
1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
CID 64639156
1-(3-methylcyclohexyl)sulfinylpentan-2-one
CID 64635690
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
2-cyclopentylsulfinyl-1-phenylethanone
CID 64639576
1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685102
1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
CID 62862239

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone (CID 64635308) is 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone is CC1CCCC(S(=O)CC(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone?
The InChIKey is IQMHNELBWZNNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2S/c1-11-4-2-7-14(8-11)19(18)10-15(17)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone?
1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone has a molecular weight of 343.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone is sourced from PubChem (CID 64635308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).