(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol

C11H16O4S — CID 63364098

IUPAC(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCS(C)(=O)=O)cc1
InChIInChI=1S/C11H16O4S/c1-9(12)10-3-5-11(6-4-10)15-7-8-16(2,13)14/h3-6,9,12H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyCRMURSYZDBAQHB-SECBINFHSA-N
MW244.31 g/mol
LogP1.16
Rot. Bonds5

About (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol

(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol (PubChem CID 63364098) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
PubChem CID63364098
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCS(C)(=O)=O)cc1
InChIInChI=1S/C11H16O4S/c1-9(12)10-3-5-11(6-4-10)15-7-8-16(2,13)14/h3-6,9,12H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyCRMURSYZDBAQHB-SECBINFHSA-N
XLogP1.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64763839
(1S)-1-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
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methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
(1S)-1-[3-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 78933948
N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54936865
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol (CID 63364098) is (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(OCCS(C)(=O)=O)cc1.
What is the InChIKey of (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol?
The InChIKey is CRMURSYZDBAQHB-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O4S/c1-9(12)10-3-5-11(6-4-10)15-7-8-16(2,13)14/h3-6,9,12H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol?
(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol has a molecular weight of 244.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol is sourced from PubChem (CID 63364098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).