4-(3-methylsulfonylphenoxy)butan-1-ol

C11H16O4S — CID 43612928

IUPAC4-(3-methylsulfonylphenoxy)butan-1-ol
SMILESCS(=O)(=O)c1cccc(OCCCCO)c1
InChIInChI=1S/C11H16O4S/c1-16(13,14)11-6-4-5-10(9-11)15-8-3-2-7-12/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyKUSGCTPIIHIQMY-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.24
Rot. Bonds6

About 4-(3-methylsulfonylphenoxy)butan-1-ol

4-(3-methylsulfonylphenoxy)butan-1-ol (PubChem CID 43612928) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenoxy)butan-1-ol.

Molecular Properties

Compound Name4-(3-methylsulfonylphenoxy)butan-1-ol
PubChem CID43612928
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name4-(3-methylsulfonylphenoxy)butan-1-ol
SMILESCS(=O)(=O)c1cccc(OCCCCO)c1
InChIInChI=1S/C11H16O4S/c1-16(13,14)11-6-4-5-10(9-11)15-8-3-2-7-12/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyKUSGCTPIIHIQMY-UHFFFAOYSA-N
XLogP1.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
6-(4-methylsulfonylphenoxy)hexan-1-ol
CID 107705402
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine
CID 62486291
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
CID 60878036
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
1-amino-2-methyl-4-(3-methylsulfonylphenoxy)butan-2-ol
CID 64815262
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
4-(3-methylsulfonylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43807175

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenoxy)butan-1-ol?
The IUPAC name of 4-(3-methylsulfonylphenoxy)butan-1-ol (CID 43612928) is 4-(3-methylsulfonylphenoxy)butan-1-ol.
What is the SMILES notation for 4-(3-methylsulfonylphenoxy)butan-1-ol?
The canonical SMILES for 4-(3-methylsulfonylphenoxy)butan-1-ol is CS(=O)(=O)c1cccc(OCCCCO)c1.
What is the InChIKey of 4-(3-methylsulfonylphenoxy)butan-1-ol?
The InChIKey is KUSGCTPIIHIQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-16(13,14)11-6-4-5-10(9-11)15-8-3-2-7-12/h4-6,9,12H,2-3,7-8H2,1H3.
What are the key properties of 4-(3-methylsulfonylphenoxy)butan-1-ol?
4-(3-methylsulfonylphenoxy)butan-1-ol has a molecular weight of 244.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenoxy)butan-1-ol is sourced from PubChem (CID 43612928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).