methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate

C15H16O2 — CID 102595202

IUPACmethyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate
SMILESCOC(=O)[C@H](C)c1ccc(C)c2ccccc12
InChIInChI=1S/C15H16O2/c1-10-8-9-13(11(2)15(16)17-3)14-7-5-4-6-12(10)14/h4-9,11H,1-3H3/t11-/m1/s1
InChIKeyXGRGMPQGRLLIDN-LLVKDONJSA-N
MW228.29 g/mol
LogP3.42
Rot. Bonds2

About methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate

methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate (PubChem CID 102595202) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate
PubChem CID102595202
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namemethyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate
SMILESCOC(=O)[C@H](C)c1ccc(C)c2ccccc12
InChIInChI=1S/C15H16O2/c1-10-8-9-13(11(2)15(16)17-3)14-7-5-4-6-12(10)14/h4-9,11H,1-3H3/t11-/m1/s1
InChIKeyXGRGMPQGRLLIDN-LLVKDONJSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171242625
[tert-butyl(dimethyl)silyl] (2R)-2-(4-methylnaphthalen-1-yl)propanoate
CID 102595204
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
ethyl 3,4-dihydroxy-4-(4-methylnaphthalen-1-yl)butanoate
CID 171898110
methyl 2-(2-acetamidophenyl)propanoate
CID 15064955
methyl 2-(2-methyl-4-sulfanylphenyl)propanoate
CID 68839392
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate?
The IUPAC name of methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate (CID 102595202) is methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate is COC(=O)[C@H](C)c1ccc(C)c2ccccc12.
What is the InChIKey of methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate?
The InChIKey is XGRGMPQGRLLIDN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-8-9-13(11(2)15(16)17-3)14-7-5-4-6-12(10)14/h4-9,11H,1-3H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate?
methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate has a molecular weight of 228.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate is sourced from PubChem (CID 102595202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).