4-[1-(methylsulfonylmethyl)cyclopentyl]phenol

C13H18O3S — CID 115047394

IUPAC4-[1-(methylsulfonylmethyl)cyclopentyl]phenol
SMILESCS(=O)(=O)CC1(c2ccc(O)cc2)CCCC1
InChIInChI=1S/C13H18O3S/c1-17(15,16)10-13(8-2-3-9-13)11-4-6-12(14)7-5-11/h4-7,14H,2-3,8-10H2,1H3
InChIKeyPFNMONKCBLCECF-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.25
Rot. Bonds3

About 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol

4-[1-(methylsulfonylmethyl)cyclopentyl]phenol (PubChem CID 115047394) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol.

Molecular Properties

Compound Name4-[1-(methylsulfonylmethyl)cyclopentyl]phenol
PubChem CID115047394
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name4-[1-(methylsulfonylmethyl)cyclopentyl]phenol
SMILESCS(=O)(=O)CC1(c2ccc(O)cc2)CCCC1
InChIInChI=1S/C13H18O3S/c1-17(15,16)10-13(8-2-3-9-13)11-4-6-12(14)7-5-11/h4-7,14H,2-3,8-10H2,1H3
InChIKeyPFNMONKCBLCECF-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol?
The IUPAC name of 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol (CID 115047394) is 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol.
What is the SMILES notation for 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol?
The canonical SMILES for 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol is CS(=O)(=O)CC1(c2ccc(O)cc2)CCCC1.
What is the InChIKey of 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol?
The InChIKey is PFNMONKCBLCECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-17(15,16)10-13(8-2-3-9-13)11-4-6-12(14)7-5-11/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol?
4-[1-(methylsulfonylmethyl)cyclopentyl]phenol has a molecular weight of 254.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylsulfonylmethyl)cyclopentyl]phenol is sourced from PubChem (CID 115047394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).