methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate

C21H19FO3 — CID 59326535

IUPACmethyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1cc2ccc(F)cc2c(OCc2ccccc2)c1C
InChIInChI=1S/C21H19FO3/c1-14-17(11-20(23)24-2)10-16-8-9-18(22)12-19(16)21(14)25-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3
InChIKeyYWGIIMRGSVMHLE-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.58
Rot. Bonds5

About methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate

methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate (PubChem CID 59326535) has the molecular formula C21H19FO3 and a molecular weight of 338.38 g/mol. Its IUPAC name is methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate
PubChem CID59326535
Molecular FormulaC21H19FO3
Molecular Weight338.38 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1cc2ccc(F)cc2c(OCc2ccccc2)c1C
InChIInChI=1S/C21H19FO3/c1-14-17(11-20(23)24-2)10-16-8-9-18(22)12-19(16)21(14)25-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3
InChIKeyYWGIIMRGSVMHLE-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-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-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate (CID 59326535) is methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate is COC(=O)Cc1cc2ccc(F)cc2c(OCc2ccccc2)c1C.
What is the InChIKey of methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate?
The InChIKey is YWGIIMRGSVMHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO3/c1-14-17(11-20(23)24-2)10-16-8-9-18(22)12-19(16)21(14)25-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3.
What are the key properties of methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate?
methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate has a molecular weight of 338.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-3-methyl-4-phenylmethoxynaphthalen-2-yl)acetate is sourced from PubChem (CID 59326535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).