methyl 3-(2-methylnaphthalen-1-yl)propanoate

C15H16O2 — CID 82550347

IUPACmethyl 3-(2-methylnaphthalen-1-yl)propanoate
SMILESCOC(=O)CCc1c(C)ccc2ccccc12
InChIInChI=1S/C15H16O2/c1-11-7-8-12-5-3-4-6-14(12)13(11)9-10-15(16)17-2/h3-8H,9-10H2,1-2H3
InChIKeyBNGWZIIXLLONCV-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.25
Rot. Bonds3

About methyl 3-(2-methylnaphthalen-1-yl)propanoate

methyl 3-(2-methylnaphthalen-1-yl)propanoate (PubChem CID 82550347) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-(2-methylnaphthalen-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylnaphthalen-1-yl)propanoate
PubChem CID82550347
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namemethyl 3-(2-methylnaphthalen-1-yl)propanoate
SMILESCOC(=O)CCc1c(C)ccc2ccccc12
InChIInChI=1S/C15H16O2/c1-11-7-8-12-5-3-4-6-14(12)13(11)9-10-15(16)17-2/h3-8H,9-10H2,1-2H3
InChIKeyBNGWZIIXLLONCV-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 3-(2-methylnaphthalen-1-yl)propanoate 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 3-(2-methylnaphthalen-1-yl)propanoate?
The IUPAC name of methyl 3-(2-methylnaphthalen-1-yl)propanoate (CID 82550347) is methyl 3-(2-methylnaphthalen-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methylnaphthalen-1-yl)propanoate?
The canonical SMILES for methyl 3-(2-methylnaphthalen-1-yl)propanoate is COC(=O)CCc1c(C)ccc2ccccc12.
What is the InChIKey of methyl 3-(2-methylnaphthalen-1-yl)propanoate?
The InChIKey is BNGWZIIXLLONCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-7-8-12-5-3-4-6-14(12)13(11)9-10-15(16)17-2/h3-8H,9-10H2,1-2H3.
What are the key properties of methyl 3-(2-methylnaphthalen-1-yl)propanoate?
methyl 3-(2-methylnaphthalen-1-yl)propanoate has a molecular weight of 228.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylnaphthalen-1-yl)propanoate is sourced from PubChem (CID 82550347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).