methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate

C10H11FO3S — CID 106533869

IUPACmethyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate
SMILESCOC(=O)CSc1cc(F)cc(CO)c1
InChIInChI=1S/C10H11FO3S/c1-14-10(13)6-15-9-3-7(5-12)2-8(11)4-9/h2-4,12H,5-6H2,1H3
InChIKeyGZLNILGNKQUGRY-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.58
Rot. Bonds4

About methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate

methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate (PubChem CID 106533869) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate
PubChem CID106533869
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Namemethyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate
SMILESCOC(=O)CSc1cc(F)cc(CO)c1
InChIInChI=1S/C10H11FO3S/c1-14-10(13)6-15-9-3-7(5-12)2-8(11)4-9/h2-4,12H,5-6H2,1H3
InChIKeyGZLNILGNKQUGRY-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

methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835391
methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835483
ethane;(3-fluoro-5-methylsulfanylphenyl)methanol
CID 176708599
methyl 2-[(2,6-dichloro-4-pyridinyl)sulfanyl]acetate
CID 4053646
methyl 3-(3-amino-5-fluorophenyl)sulfanylpropanoate
CID 60877672
methyl 2-[4-(aminomethyl)phenyl]sulfanylacetate
CID 63807676
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
methyl 2-(4-methyl-3,5-dinitrophenyl)sulfanylacetate
CID 3521492
methyl 2-[[5-(hydroxymethyl)-2-pyridinyl]sulfanyl]acetate
CID 80650604
methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate
CID 63809087
(3-fluoro-5-iodophenyl)methanol;methyl 3-fluoro-5-iodobenzoate
CID 118049798
methyl 3-[3-(hydroxymethyl)phenyl]sulfanylpropanoate
CID 66347189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate?
The IUPAC name of methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate (CID 106533869) is methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate is COC(=O)CSc1cc(F)cc(CO)c1.
What is the InChIKey of methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate?
The InChIKey is GZLNILGNKQUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-14-10(13)6-15-9-3-7(5-12)2-8(11)4-9/h2-4,12H,5-6H2,1H3.
What are the key properties of methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate?
methyl 2-[3-fluoro-5-(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-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate is sourced from PubChem (CID 106533869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).