1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol

C16H24O3S — CID 167831834

IUPAC1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol
SMILESCc1ccc(C(C)S(=O)(=O)CC2(O)CCCC2)cc1C
InChIInChI=1S/C16H24O3S/c1-12-6-7-15(10-13(12)2)14(3)20(18,19)11-16(17)8-4-5-9-16/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyYVVGJDXTAGPINE-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol

1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol (PubChem CID 167831834) has the molecular formula C16H24O3S and a molecular weight of 296.43 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol
PubChem CID167831834
Molecular FormulaC16H24O3S
Molecular Weight296.43 g/mol
Exact Mass296.14
IUPAC Name1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol
SMILESCc1ccc(C(C)S(=O)(=O)CC2(O)CCCC2)cc1C
InChIInChI=1S/C16H24O3S/c1-12-6-7-15(10-13(12)2)14(3)20(18,19)11-16(17)8-4-5-9-16/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyYVVGJDXTAGPINE-UHFFFAOYSA-N
XLogP3.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)ethanesulfonamide
CID 62083506
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-(3,4-dimethylphenyl)-2-methylsulfonylpropan-1-ol
CID 104521030
1-(3,4-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82359986
1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65212688
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide
CID 60862171
2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
CID 63159070
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol (CID 167831834) is 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol is Cc1ccc(C(C)S(=O)(=O)CC2(O)CCCC2)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol?
The InChIKey is YVVGJDXTAGPINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3S/c1-12-6-7-15(10-13(12)2)14(3)20(18,19)11-16(17)8-4-5-9-16/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol?
1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol has a molecular weight of 296.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 167831834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).