methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

C18H22O3 — CID 70912009

IUPACmethyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1cc2ccccc2cc1C
InChIInChI=1S/C18H22O3/c1-12-10-13-8-6-7-9-14(13)11-15(12)16(17(19)20-5)21-18(2,3)4/h6-11,16H,1-5H3
InChIKeyBWLAXNADGSORSA-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.18
Rot. Bonds3

About methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 70912009) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID70912009
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Namemethyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1cc2ccccc2cc1C
InChIInChI=1S/C18H22O3/c1-12-10-13-8-6-7-9-14(13)11-15(12)16(17(19)20-5)21-18(2,3)4/h6-11,16H,1-5H3
InChIKeyBWLAXNADGSORSA-UHFFFAOYSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 141324526
methyl 2-[(2-methylpropan-2-yl)oxy]-2-(2,4,5-trimethyl-3-nitrophenyl)acetate
CID 90380260
methyl 2-(2,5-dimethyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90380267
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate
CID 70813717
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
methyl 2,3-dihydroxy-3-phenanthren-9-ylpropanoate
CID 171865077
methyl (2S)-2-acetyloxy-2-(2-methylphenyl)acetate
CID 125477072
methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 144768653
ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123410601
dimethyl 2-anthracen-9-ylpropanedioate
CID 102159611
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (CID 70912009) is methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)C(OC(C)(C)C)c1cc2ccccc2cc1C.
What is the InChIKey of methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is BWLAXNADGSORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-12-10-13-8-6-7-9-14(13)11-15(12)16(17(19)20-5)21-18(2,3)4/h6-11,16H,1-5H3.
What are the key properties of methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 286.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 70912009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).