methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate

C16H17FO3 — CID 623921

IUPACmethyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1c(F)ccc2cccc(OC)c12
InChIInChI=1S/C16H17FO3/c1-16(2,15(18)20-4)14-11(17)9-8-10-6-5-7-12(19-3)13(10)14/h5-9H,1-4H3
InChIKeyORSACJRAJHBBSS-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.44
Rot. Bonds3

About methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate

methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate (PubChem CID 623921) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate
PubChem CID623921
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Namemethyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1c(F)ccc2cccc(OC)c12
InChIInChI=1S/C16H17FO3/c1-16(2,15(18)20-4)14-11(17)9-8-10-6-5-7-12(19-3)13(10)14/h5-9H,1-4H3
InChIKeyORSACJRAJHBBSS-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate
CID 113388820
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438890
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
8-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 115057552
2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
CID 113388819
benzyl 2-(2,3-difluoro-6-methoxyphenyl)-2-methylpropanoate
CID 171833028
methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate
CID 22574219

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate (CID 623921) is methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1c(F)ccc2cccc(OC)c12.
What is the InChIKey of methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate?
The InChIKey is ORSACJRAJHBBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-16(2,15(18)20-4)14-11(17)9-8-10-6-5-7-12(19-3)13(10)14/h5-9H,1-4H3.
What are the key properties of methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate?
methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate has a molecular weight of 276.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate is sourced from PubChem (CID 623921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).