1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol

C11H13FO4S — CID 117404543

IUPAC1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol
SMILESCOc1ccc(C2(O)CC2)c(F)c1S(C)(=O)=O
InChIInChI=1S/C11H13FO4S/c1-16-8-4-3-7(11(13)5-6-11)9(12)10(8)17(2,14)15/h3-4,13H,5-6H2,1-2H3
InChIKeySGDQOZWQJLQUDR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.22
Rot. Bonds3

About 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol

1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol (PubChem CID 117404543) has the molecular formula C11H13FO4S and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol
PubChem CID117404543
Molecular FormulaC11H13FO4S
Molecular Weight260.29 g/mol
Exact Mass260.05
IUPAC Name1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol
SMILESCOc1ccc(C2(O)CC2)c(F)c1S(C)(=O)=O
InChIInChI=1S/C11H13FO4S/c1-16-8-4-3-7(11(13)5-6-11)9(12)10(8)17(2,14)15/h3-4,13H,5-6H2,1-2H3
InChIKeySGDQOZWQJLQUDR-UHFFFAOYSA-N
XLogP1.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol (CID 117404543) is 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol is COc1ccc(C2(O)CC2)c(F)c1S(C)(=O)=O.
What is the InChIKey of 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol?
The InChIKey is SGDQOZWQJLQUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4S/c1-16-8-4-3-7(11(13)5-6-11)9(12)10(8)17(2,14)15/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol?
1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol has a molecular weight of 260.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117404543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).