1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol

C16H24O4S — CID 91207982

IUPAC1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
SMILESCCCC(O)c1cccc(S(=O)(=O)CC2(O)CCCC2)c1
InChIInChI=1S/C16H24O4S/c1-2-6-15(17)13-7-5-8-14(11-13)21(19,20)12-16(18)9-3-4-10-16/h5,7-8,11,15,17-18H,2-4,6,9-10,12H2,1H3
InChIKeyPMWONSACHBFKJC-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.60
Rot. Bonds6

About 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol

1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol (PubChem CID 91207982) has the molecular formula C16H24O4S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
PubChem CID91207982
Molecular FormulaC16H24O4S
Molecular Weight312.43 g/mol
Exact Mass312.14
IUPAC Name1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
SMILESCCCC(O)c1cccc(S(=O)(=O)CC2(O)CCCC2)c1
InChIInChI=1S/C16H24O4S/c1-2-6-15(17)13-7-5-8-14(11-13)21(19,20)12-16(18)9-3-4-10-16/h5,7-8,11,15,17-18H,2-4,6,9-10,12H2,1H3
InChIKeyPMWONSACHBFKJC-UHFFFAOYSA-N
XLogP2.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
(4-Methanesulfonylphenyl)methanol
CID 3801026
(1R,2S)-1-(4-methylsulfonylphenyl)propane-1,2,3-triol
CID 56659315
(1R,2R)-1-(4-methylsulfonylphenyl)propane-1,2,3-triol
CID 56669659
2-(Dodecylsulfinyl)-1-phenylethanol
CID 3660327
(3,5-Bis(methylsulfonyl)phenyl)methanol
CID 2761106
4-Fluoro-3-(methylsulfonyl)benzenemethanol
CID 66877838
(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
CID 12684717

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol (CID 91207982) is 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol is CCCC(O)c1cccc(S(=O)(=O)CC2(O)CCCC2)c1.
What is the InChIKey of 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol?
The InChIKey is PMWONSACHBFKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4S/c1-2-6-15(17)13-7-5-8-14(11-13)21(19,20)12-16(18)9-3-4-10-16/h5,7-8,11,15,17-18H,2-4,6,9-10,12H2,1H3.
What are the key properties of 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol?
1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol has a molecular weight of 312.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-hydroxybutyl)phenyl]sulfonylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 91207982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).