7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid

C15H13FO4 — CID 59326734

IUPAC7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid
SMILESCOC(=O)Cc1cc2ccc(F)cc2c(C(=O)O)c1C
InChIInChI=1S/C15H13FO4/c1-8-10(6-13(17)20-2)5-9-3-4-11(16)7-12(9)14(8)15(18)19/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyDNCPRBDIQOHSHU-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.70
Rot. Bonds3

About 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid

7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid (PubChem CID 59326734) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid
PubChem CID59326734
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid
SMILESCOC(=O)Cc1cc2ccc(F)cc2c(C(=O)O)c1C
InChIInChI=1S/C15H13FO4/c1-8-10(6-13(17)20-2)5-9-3-4-11(16)7-12(9)14(8)15(18)19/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyDNCPRBDIQOHSHU-UHFFFAOYSA-N
XLogP2.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carbonyl]piperazine-1-carboxylic acid
CID 67369572
methyl 2-[4-(4-ethylsulfonylpiperazine-1-carbonyl)-6-fluoro-3-methylnaphthalen-2-yl]acetate
CID 59326736
[4-[7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carbonyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174623527
methyl 2-[6-fluoro-3-methyl-4-[(4-phenylmethoxyphenyl)methyl]naphthalen-2-yl]acetate
CID 59350813
methyl 2-[6-fluoro-3-methyl-4-[(4-methylsulfanylphenyl)methyl]naphthalen-2-yl]acetate
CID 143993118
methyl 2-[4-[4-(3,5-difluorophenyl)sulfanylphenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
CID 86694974
methyl 2-[6-fluoro-3-methyl-4-[[4-(trifluoromethylsulfanyl)phenyl]methyl]naphthalen-2-yl]acetate
CID 59350850
methyl 2-[6-fluoro-3-methyl-4-(4-piperidin-1-ylsulfonylphenyl)naphthalen-2-yl]acetate
CID 86695019
2-[4-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 59326716
methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
CID 86695020
methyl 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetate
CID 86695014
3-[4-(3-ethyl-2,6-dimethylphenyl)phenyl]-7-fluoro-2-methylnaphthalene-1-carboxylic acid
CID 58623624

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid?
The IUPAC name of 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid (CID 59326734) is 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid?
The canonical SMILES for 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid is COC(=O)Cc1cc2ccc(F)cc2c(C(=O)O)c1C.
What is the InChIKey of 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid?
The InChIKey is DNCPRBDIQOHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-8-10(6-13(17)20-2)5-9-3-4-11(16)7-12(9)14(8)15(18)19/h3-5,7H,6H2,1-2H3,(H,18,19).
What are the key properties of 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid?
7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid has a molecular weight of 276.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 59326734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).