methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate

C23H23FO4 — CID 10091294

IUPACmethyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate
SMILESCC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m1/s1
InChIKeyYOFHXPYZDXQNER-HSZRJFAPSA-N
MW382.43 g/mol
LogP4.98
Rot. Bonds7

About methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate

methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate (PubChem CID 10091294) has the molecular formula C23H23FO4 and a molecular weight of 382.43 g/mol. Its IUPAC name is methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate
PubChem CID10091294
Molecular FormulaC23H23FO4
Molecular Weight382.43 g/mol
Exact Mass382.16
IUPAC Namemethyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate
SMILESCC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m1/s1
InChIKeyYOFHXPYZDXQNER-HSZRJFAPSA-N
XLogP4.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate 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 (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate?
The IUPAC name of methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate (CID 10091294) is methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate.
What is the SMILES notation for methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate?
The canonical SMILES for methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate is CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1.
What is the InChIKey of methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate?
The InChIKey is YOFHXPYZDXQNER-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m1/s1.
What are the key properties of methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate?
methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate has a molecular weight of 382.43 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate is sourced from PubChem (CID 10091294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).