2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid

C15H13FO4 — CID 102875972

IUPAC2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccc(COc2ccccc2C(=O)O)c(F)c1
InChIInChI=1S/C15H13FO4/c1-19-11-7-6-10(13(16)8-11)9-20-14-5-3-2-4-12(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPHUCXNKYRQKKQL-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.11
Rot. Bonds5

About 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid

2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid (PubChem CID 102875972) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
PubChem CID102875972
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccc(COc2ccccc2C(=O)O)c(F)c1
InChIInChI=1S/C15H13FO4/c1-19-11-7-6-10(13(16)8-11)9-20-14-5-3-2-4-12(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPHUCXNKYRQKKQL-UHFFFAOYSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975
2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 102875976
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid (CID 102875972) is 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid is COc1ccc(COc2ccccc2C(=O)O)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is PHUCXNKYRQKKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-11-7-6-10(13(16)8-11)9-20-14-5-3-2-4-12(14)15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid has a molecular weight of 276.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 102875972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).