1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol

C11H14O3S — CID 117325645

IUPAC1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol
SMILESCS(=O)(=O)Cc1ccc(C2(O)CC2)cc1
InChIInChI=1S/C11H14O3S/c1-15(13,14)8-9-2-4-10(5-3-9)11(12)6-7-11/h2-5,12H,6-8H2,1H3
InChIKeyKLWJWORQLSJRFG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol

1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol (PubChem CID 117325645) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol
PubChem CID117325645
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol
SMILESCS(=O)(=O)Cc1ccc(C2(O)CC2)cc1
InChIInChI=1S/C11H14O3S/c1-15(13,14)8-9-2-4-10(5-3-9)11(12)6-7-11/h2-5,12H,6-8H2,1H3
InChIKeyKLWJWORQLSJRFG-UHFFFAOYSA-N
XLogP1.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol (CID 117325645) is 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol is CS(=O)(=O)Cc1ccc(C2(O)CC2)cc1.
What is the InChIKey of 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol?
The InChIKey is KLWJWORQLSJRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-15(13,14)8-9-2-4-10(5-3-9)11(12)6-7-11/h2-5,12H,6-8H2,1H3.
What are the key properties of 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol?
1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol has a molecular weight of 226.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117325645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).