methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate

C10H11FO3S — CID 63835483

IUPACmethyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
SMILESCOC(=O)CSc1ccc(CO)cc1F
InChIInChI=1S/C10H11FO3S/c1-14-10(13)6-15-9-3-2-7(5-12)4-8(9)11/h2-4,12H,5-6H2,1H3
InChIKeyOMLZLZACAIKPPF-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.58
Rot. Bonds4

About methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate

methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate (PubChem CID 63835483) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
PubChem CID63835483
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Namemethyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
SMILESCOC(=O)CSc1ccc(CO)cc1F
InChIInChI=1S/C10H11FO3S/c1-14-10(13)6-15-9-3-2-7(5-12)4-8(9)11/h2-4,12H,5-6H2,1H3
InChIKeyOMLZLZACAIKPPF-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 116687870
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835391
tert-butyl 3-fluoro-4-(2-methoxy-2-oxoethyl)sulfanylbenzoate
CID 68960105
methyl 2-[4-chloro-2-(hydroxymethyl)phenyl]sulfanylacetate
CID 114865527
methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate
CID 106533869
methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate
CID 117033992
methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate
CID 117033993
methyl 2-[2-methyl-4-(methylaminomethyl)phenyl]sulfanylacetate
CID 63808376
methyl 2-[[5-(hydroxymethyl)-2-pyridinyl]sulfanyl]acetate
CID 80650604
[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
CID 63814866
methyl 2-(2-amino-5-fluoro-4-iodophenyl)sulfanylacetate
CID 66102332
propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate
CID 43303372

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate?
The IUPAC name of methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate (CID 63835483) is methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate is COC(=O)CSc1ccc(CO)cc1F.
What is the InChIKey of methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate?
The InChIKey is OMLZLZACAIKPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-14-10(13)6-15-9-3-2-7(5-12)4-8(9)11/h2-4,12H,5-6H2,1H3.
What are the key properties of methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate?
methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate has a molecular weight of 230.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate is sourced from PubChem (CID 63835483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).