4-fluoro-1-methoxynaphthalene-2-carboxylic acid

C12H9FO3 — CID 66701185

IUPAC4-fluoro-1-methoxynaphthalene-2-carboxylic acid
SMILESCOc1c(C(=O)O)cc(F)c2ccccc12
InChIInChI=1S/C12H9FO3/c1-16-11-8-5-3-2-4-7(8)10(13)6-9(11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyGUPJNLSSYVNWCY-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.69
Rot. Bonds2

About 4-fluoro-1-methoxynaphthalene-2-carboxylic acid

4-fluoro-1-methoxynaphthalene-2-carboxylic acid (PubChem CID 66701185) has the molecular formula C12H9FO3 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-fluoro-1-methoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-methoxynaphthalene-2-carboxylic acid
PubChem CID66701185
Molecular FormulaC12H9FO3
Molecular Weight220.20 g/mol
Exact Mass220.05
IUPAC Name4-fluoro-1-methoxynaphthalene-2-carboxylic acid
SMILESCOc1c(C(=O)O)cc(F)c2ccccc12
InChIInChI=1S/C12H9FO3/c1-16-11-8-5-3-2-4-7(8)10(13)6-9(11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyGUPJNLSSYVNWCY-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
CID 19691011
5-fluoro-2,3-dimethoxy-4-methylsulfanylbenzoic acid
CID 117367407
3,5-difluoro-2-iodo-4-methoxybenzoic acid
CID 174661023
3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
CID 84670427
5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
3-bromo-2-methoxy-5-phenylbenzoic acid
CID 50882923
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487
1,3-difluoro-2-methoxy-5-phenylbenzene
CID 164892027
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-fluoro-1-methoxynaphthalene-2-carboxylic acid (CID 66701185) is 4-fluoro-1-methoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-methoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-fluoro-1-methoxynaphthalene-2-carboxylic acid is COc1c(C(=O)O)cc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-1-methoxynaphthalene-2-carboxylic acid?
The InChIKey is GUPJNLSSYVNWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3/c1-16-11-8-5-3-2-4-7(8)10(13)6-9(11)12(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 4-fluoro-1-methoxynaphthalene-2-carboxylic acid?
4-fluoro-1-methoxynaphthalene-2-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 66701185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).