2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol

C12H17FO4S — CID 117442386

IUPAC2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1C(C)(C)CO
InChIInChI=1S/C12H17FO4S/c1-12(2,7-14)8-5-9(13)11(18(4,15)16)6-10(8)17-3/h5-6,14H,7H2,1-4H3
InChIKeyZPLADTDWRBKVMC-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.51
Rot. Bonds4

About 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol

2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol (PubChem CID 117442386) has the molecular formula C12H17FO4S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol
PubChem CID117442386
Molecular FormulaC12H17FO4S
Molecular Weight276.33 g/mol
Exact Mass276.08
IUPAC Name2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1C(C)(C)CO
InChIInChI=1S/C12H17FO4S/c1-12(2,7-14)8-5-9(13)11(18(4,15)16)6-10(8)17-3/h5-6,14H,7H2,1-4H3
InChIKeyZPLADTDWRBKVMC-UHFFFAOYSA-N
XLogP1.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770
2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117414933
5-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethoxybenzoic acid
CID 117388809
2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117353825
1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370203
2-(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117472304
O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412246
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
1-tert-butyl-2-methoxy-5-methyl-4-methylsulfonylbenzene
CID 155748000
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-(6-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117321978

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol (CID 117442386) is 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol is COc1cc(S(C)(=O)=O)c(F)cc1C(C)(C)CO.
What is the InChIKey of 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol?
The InChIKey is ZPLADTDWRBKVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO4S/c1-12(2,7-14)8-5-9(13)11(18(4,15)16)6-10(8)17-3/h5-6,14H,7H2,1-4H3.
What are the key properties of 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol?
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol has a molecular weight of 276.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117442386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).