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

C17H20O4 — CID 101261822

IUPAC2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOCCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20O4/c1-12(17(18)21-9-8-19-2)13-4-5-15-11-16(20-3)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyMQRQYOJNRZXCSE-GFCCVEGCSA-N
MW288.34 g/mol
LogP3.14
Rot. Bonds6

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

2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 101261822) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID101261822
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOCCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20O4/c1-12(17(18)21-9-8-19-2)13-4-5-15-11-16(20-3)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyMQRQYOJNRZXCSE-GFCCVEGCSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 163127926
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 51351147
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
3-methylsulfonyloxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 89099658
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 101261822) is 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is COCCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is MQRQYOJNRZXCSE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20O4/c1-12(17(18)21-9-8-19-2)13-4-5-15-11-16(20-3)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 288.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 101261822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).