methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate

C12H12FNO3 — CID 117346082

IUPACmethyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc2c(ccn2C)c1F
InChIInChI=1S/C12H12FNO3/c1-14-6-5-7-9(14)4-3-8(10(7)13)11(15)12(16)17-2/h3-6,11,15H,1-2H3
InChIKeyDUKYRIQKKVESCY-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.52
Rot. Bonds2

About methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate

methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate (PubChem CID 117346082) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate
PubChem CID117346082
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Namemethyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc2c(ccn2C)c1F
InChIInChI=1S/C12H12FNO3/c1-14-6-5-7-9(14)4-3-8(10(7)13)11(15)12(16)17-2/h3-6,11,15H,1-2H3
InChIKeyDUKYRIQKKVESCY-UHFFFAOYSA-N
XLogP1.52
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate 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

ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate
CID 117412360
methyl 2-(1-methylindol-4-yl)propanoate
CID 102374940
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
methyl 2-(3-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 106644466
methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate
CID 117312084
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117362062
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
CID 117302719
methyl 2-(5-bromo-2,4-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117495752

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate (CID 117346082) is methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate is COC(=O)C(O)c1ccc2c(ccn2C)c1F.
What is the InChIKey of methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate?
The InChIKey is DUKYRIQKKVESCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-14-6-5-7-9(14)4-3-8(10(7)13)11(15)12(16)17-2/h3-6,11,15H,1-2H3.
What are the key properties of methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate?
methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate has a molecular weight of 237.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate is sourced from PubChem (CID 117346082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).