methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate

C11H13FO3S — CID 155035663

IUPACmethyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate
SMILESCOC(=O)CCSc1cccc(OC)c1F
InChIInChI=1S/C11H13FO3S/c1-14-8-4-3-5-9(11(8)12)16-7-6-10(13)15-2/h3-5H,6-7H2,1-2H3
InChIKeyFGBXSKFKANXLLY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.49
Rot. Bonds5

About methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate

methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate (PubChem CID 155035663) has the molecular formula C11H13FO3S and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate
PubChem CID155035663
Molecular FormulaC11H13FO3S
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Namemethyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate
SMILESCOC(=O)CCSc1cccc(OC)c1F
InChIInChI=1S/C11H13FO3S/c1-14-8-4-3-5-9(11(8)12)16-7-6-10(13)15-2/h3-5H,6-7H2,1-2H3
InChIKeyFGBXSKFKANXLLY-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(5-chloro-2-methoxyphenyl)sulfanylpropanoate
CID 117034051
tert-butyl 3-(2-methoxyphenyl)sulfanylpropanoate
CID 113227654
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
methyl 3-(2-amino-3-carbamoylphenyl)sulfanylpropanoate
CID 115547531
methyl 3-[[2-(dimethylamino)-3-fluoro-4-pyridinyl]sulfanyl]propanoate
CID 155034873
methyl 3-(3-bromo-2-cyanophenyl)sulfanylpropanoate
CID 114884199
N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide
CID 47449102
4-(2-fluoro-3-methoxyphenyl)sulfanylbenzoic acid
CID 154448195
(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605
methyl 3-(2-methylsulfanylphenoxy)propanoate
CID 63648637
6-(3-methoxy-3-oxopropyl)sulfanylpyridine-2-carboxylic acid
CID 60730616
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
CID 113453832

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate?
The IUPAC name of methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate (CID 155035663) is methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate.
What is the SMILES notation for methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate?
The canonical SMILES for methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate is COC(=O)CCSc1cccc(OC)c1F.
What is the InChIKey of methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate?
The InChIKey is FGBXSKFKANXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3S/c1-14-8-4-3-5-9(11(8)12)16-7-6-10(13)15-2/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate?
methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate is sourced from PubChem (CID 155035663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).