(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol

C16H23BrO3S — CID 114329804

IUPAC(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCc1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cc(C)c1Br
InChIInChI=1S/C16H23BrO3S/c1-10-7-13(8-11(2)15(10)17)16(18)12-5-4-6-14(9-12)21(3,19)20/h7-8,12,14,16,18H,4-6,9H2,1-3H3
InChIKeyZXTCEHVGVHNQJX-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.70
Rot. Bonds3

About (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol

(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 114329804) has the molecular formula C16H23BrO3S and a molecular weight of 375.33 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID114329804
Molecular FormulaC16H23BrO3S
Molecular Weight375.33 g/mol
Exact Mass374.06
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCc1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cc(C)c1Br
InChIInChI=1S/C16H23BrO3S/c1-10-7-13(8-11(2)15(10)17)16(18)12-5-4-6-14(9-12)21(3,19)20/h7-8,12,14,16,18H,4-6,9H2,1-3H3
InChIKeyZXTCEHVGVHNQJX-UHFFFAOYSA-N
XLogP3.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107502764
(4-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822026
(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 105114882
(3-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822100
(2-amino-5-bromophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 82703710
(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822082
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 102830337
(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 107969794
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014289
(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107985228

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol (CID 114329804) is (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol is Cc1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is ZXTCEHVGVHNQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO3S/c1-10-7-13(8-11(2)15(10)17)16(18)12-5-4-6-14(9-12)21(3,19)20/h7-8,12,14,16,18H,4-6,9H2,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol?
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 375.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 114329804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).