methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate

C15H16O5 — CID 117442178

IUPACmethyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C15H16O5/c1-18-10-6-4-9-5-7-12(19-2)13(11(9)8-10)14(16)15(17)20-3/h4-8,14,16H,1-3H3
InChIKeyLHGOFODWNLSSCV-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate

methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate (PubChem CID 117442178) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
PubChem CID117442178
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namemethyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C15H16O5/c1-18-10-6-4-9-5-7-12(19-2)13(11(9)8-10)14(16)15(17)20-3/h4-8,14,16H,1-3H3
InChIKeyLHGOFODWNLSSCV-UHFFFAOYSA-N
XLogP2.06
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117388905
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid
CID 70179389
methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117428827
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
methyl 2-chloro-3-(2,5-dimethoxyphenyl)-3-oxopropanoate
CID 112513730
methyl 3-(2,5-dimethoxyphenyl)-2-hydroxybutanoate
CID 66289214
methyl 2-[(2,5-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62395093
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
CID 117378480
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate (CID 117442178) is methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate is COC(=O)C(O)c1c(OC)ccc2ccc(OC)cc12.
What is the InChIKey of methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate?
The InChIKey is LHGOFODWNLSSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-18-10-6-4-9-5-7-12(19-2)13(11(9)8-10)14(16)15(17)20-3/h4-8,14,16H,1-3H3.
What are the key properties of methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate?
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate has a molecular weight of 276.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate is sourced from PubChem (CID 117442178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).