methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate

C13H11FO3 — CID 54288409

IUPACmethyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2cc(F)ccc2c1O
InChIInChI=1S/C13H11FO3/c1-17-12(15)7-9-3-2-8-6-10(14)4-5-11(8)13(9)16/h2-6,16H,7H2,1H3
InChIKeyRVUJVMWCXROHSS-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.40
Rot. Bonds2

About methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate

methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate (PubChem CID 54288409) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate
PubChem CID54288409
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Namemethyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2cc(F)ccc2c1O
InChIInChI=1S/C13H11FO3/c1-17-12(15)7-9-3-2-8-6-10(14)4-5-11(8)13(9)16/h2-6,16H,7H2,1H3
InChIKeyRVUJVMWCXROHSS-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate (CID 54288409) is methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate is COC(=O)Cc1ccc2cc(F)ccc2c1O.
What is the InChIKey of methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate?
The InChIKey is RVUJVMWCXROHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c1-17-12(15)7-9-3-2-8-6-10(14)4-5-11(8)13(9)16/h2-6,16H,7H2,1H3.
What are the key properties of methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate?
methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate has a molecular weight of 234.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-1-hydroxynaphthalen-2-yl)acetate is sourced from PubChem (CID 54288409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).