propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

C17H20O3 — CID 102378352

IUPACpropyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20O3/c1-4-9-20-17(18)12(2)13-5-6-15-11-16(19-3)8-7-14(15)10-13/h5-8,10-12H,4,9H2,1-3H3/t12-/m1/s1
InChIKeyROGSRAKQDLOYRS-GFCCVEGCSA-N
MW272.34 g/mol
LogP3.91
Rot. Bonds5

About propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 102378352) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namepropyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID102378352
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Namepropyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20O3/c1-4-9-20-17(18)12(2)13-5-6-15-11-16(19-3)8-7-14(15)10-13/h5-8,10-12H,4,9H2,1-3H3/t12-/m1/s1
InChIKeyROGSRAKQDLOYRS-GFCCVEGCSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 51351147
[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 18638382
2-(2-hydroxyethyldisulfanyl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 87404087
2-(2-hydroxyethylsulfanyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 21075929
2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 163127926
3-methylsulfonyloxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 89099658
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 102378352) is propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is CCCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is ROGSRAKQDLOYRS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20O3/c1-4-9-20-17(18)12(2)13-5-6-15-11-16(19-3)8-7-14(15)10-13/h5-8,10-12H,4,9H2,1-3H3/t12-/m1/s1.
What are the key properties of propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 272.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 102378352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).