methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate

C17H18O5 — CID 59253984

IUPACmethyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
SMILESCOC(=O)COc1ccc2cc(C(C)C(=O)OC)ccc2c1
InChIInChI=1S/C17H18O5/c1-11(17(19)21-3)12-4-5-14-9-15(7-6-13(14)8-12)22-10-16(18)20-2/h4-9,11H,10H2,1-3H3
InChIKeyGEKLVIMQMMGSNI-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.67
Rot. Bonds5

About methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate

methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate (PubChem CID 59253984) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
PubChem CID59253984
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
SMILESCOC(=O)COc1ccc2cc(C(C)C(=O)OC)ccc2c1
InChIInChI=1S/C17H18O5/c1-11(17(19)21-3)12-4-5-14-9-15(7-6-13(14)8-12)22-10-16(18)20-2/h4-9,11H,10H2,1-3H3
InChIKeyGEKLVIMQMMGSNI-UHFFFAOYSA-N
XLogP2.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
CID 21412612
methyl 2-(6-bromonaphthalen-2-yl)propanoate
CID 154165948
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl (2S)-2-[6-[2-(3-but-3-ynyldiaziridin-3-yl)ethoxy]naphthalen-2-yl]propanoate
CID 146586676
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
methyl 2-[6-[chloro-[[1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]amino]phosphoryl]oxynaphthalen-2-yl]propanoate
CID 90965386
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate?
The IUPAC name of methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate (CID 59253984) is methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate.
What is the SMILES notation for methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate?
The canonical SMILES for methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate is COC(=O)COc1ccc2cc(C(C)C(=O)OC)ccc2c1.
What is the InChIKey of methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate?
The InChIKey is GEKLVIMQMMGSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-11(17(19)21-3)12-4-5-14-9-15(7-6-13(14)8-12)22-10-16(18)20-2/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate?
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate has a molecular weight of 302.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate is sourced from PubChem (CID 59253984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).