2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol

C11H13FO4S — CID 117404537

IUPAC2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(CC2(O)CC2)c(O)c1F
InChIInChI=1S/C11H13FO4S/c1-17(15,16)8-3-2-7(10(13)9(8)12)6-11(14)4-5-11/h2-3,13-14H,4-6H2,1H3
InChIKeyCVJQGHUKVVOUBR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.00
Rot. Bonds3

About 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol

2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol (PubChem CID 117404537) has the molecular formula C11H13FO4S and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol.

Molecular Properties

Compound Name2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol
PubChem CID117404537
Molecular FormulaC11H13FO4S
Molecular Weight260.29 g/mol
Exact Mass260.05
IUPAC Name2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(CC2(O)CC2)c(O)c1F
InChIInChI=1S/C11H13FO4S/c1-17(15,16)8-3-2-7(10(13)9(8)12)6-11(14)4-5-11/h2-3,13-14H,4-6H2,1H3
InChIKeyCVJQGHUKVVOUBR-UHFFFAOYSA-N
XLogP1.00
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409977
1-[(2,6-difluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409974
6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409978
6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
CID 117407300
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)propanoic acid
CID 117409765
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117468898
2-fluoro-3-methylsulfonyl-6-(piperazin-1-ylmethyl)phenol
CID 117465783
1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117437969
2-fluoro-3-methylsulfonyl-6-(2-piperazin-1-ylethyl)phenol
CID 117487132
(2,3-difluoro-4-methylsulfonylphenyl)methanamine
CID 117315311

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol?
The IUPAC name of 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol (CID 117404537) is 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol.
What is the SMILES notation for 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol?
The canonical SMILES for 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol is CS(=O)(=O)c1ccc(CC2(O)CC2)c(O)c1F.
What is the InChIKey of 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol?
The InChIKey is CVJQGHUKVVOUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4S/c1-17(15,16)8-3-2-7(10(13)9(8)12)6-11(14)4-5-11/h2-3,13-14H,4-6H2,1H3.
What are the key properties of 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol?
2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol has a molecular weight of 260.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol is sourced from PubChem (CID 117404537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).