2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid

C17H17FO3 — CID 107014119

IUPAC2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
SMILESCc1cc(C)c(COc2cccc(F)c2C(=O)O)c(C)c1
InChIInChI=1S/C17H17FO3/c1-10-7-11(2)13(12(3)8-10)9-21-15-6-4-5-14(18)16(15)17(19)20/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyXXRSNBVGUKAJOV-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.03
Rot. Bonds4

About 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid

2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid (PubChem CID 107014119) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
PubChem CID107014119
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
SMILESCc1cc(C)c(COc2cccc(F)c2C(=O)O)c(C)c1
InChIInChI=1S/C17H17FO3/c1-10-7-11(2)13(12(3)8-10)9-21-15-6-4-5-14(18)16(15)17(19)20/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyXXRSNBVGUKAJOV-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107014003
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
2-fluoro-6-(2-methylsulfanylethoxy)benzoic acid
CID 107013890
2-fluoro-6-(3-hydroxybutoxy)benzoic acid
CID 107014139
2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid
CID 107014090

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid?
The IUPAC name of 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid (CID 107014119) is 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid is Cc1cc(C)c(COc2cccc(F)c2C(=O)O)c(C)c1.
What is the InChIKey of 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid?
The InChIKey is XXRSNBVGUKAJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-10-7-11(2)13(12(3)8-10)9-21-15-6-4-5-14(18)16(15)17(19)20/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid?
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid has a molecular weight of 288.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 107014119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).