methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate

C26H22O6 — CID 172816463

IUPACmethyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
SMILESCOC(=O)COc1ccc(-c2ccc(OCC(=O)OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H22O6/c1-29-25(27)15-31-23-13-11-19(17-7-3-5-9-21(17)23)20-12-14-24(32-16-26(28)30-2)22-10-6-4-8-18(20)22/h3-14H,15-16H2,1-2H3
InChIKeySWJPSLGRCNGEQA-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.76
Rot. Bonds7

About methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate

methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate (PubChem CID 172816463) has the molecular formula C26H22O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
PubChem CID172816463
Molecular FormulaC26H22O6
Molecular Weight430.46 g/mol
Exact Mass430.14
IUPAC Namemethyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
SMILESCOC(=O)COc1ccc(-c2ccc(OCC(=O)OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H22O6/c1-29-25(27)15-31-23-13-11-19(17-7-3-5-9-21(17)23)20-12-14-24(32-16-26(28)30-2)22-10-6-4-8-18(20)22/h3-14H,15-16H2,1-2H3
InChIKeySWJPSLGRCNGEQA-UHFFFAOYSA-N
XLogP4.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxyacetate
CID 58520264
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 2-quinolin-4-yloxyacetate
CID 151479480
methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate
CID 119811908
CID 58544147
CID 58544147
1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid
CID 80528186
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
methyl 2-(3-bromo-2-methoxyphenoxy)acetate
CID 54183204
methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119811923
methyl 2-(2-formylphenoxy)acetate
CID 5151625
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate
CID 10659779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate?
The IUPAC name of methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate (CID 172816463) is methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate.
What is the SMILES notation for methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate?
The canonical SMILES for methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate is COC(=O)COc1ccc(-c2ccc(OCC(=O)OC)c3ccccc23)c2ccccc12.
What is the InChIKey of methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate?
The InChIKey is SWJPSLGRCNGEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6/c1-29-25(27)15-31-23-13-11-19(17-7-3-5-9-21(17)23)20-12-14-24(32-16-26(28)30-2)22-10-6-4-8-18(20)22/h3-14H,15-16H2,1-2H3.
What are the key properties of methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate?
methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate has a molecular weight of 430.46 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate is sourced from PubChem (CID 172816463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).