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

C15H12ClFO4 — CID 102875975

IUPAC4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccc(COc2cc(Cl)ccc2C(=O)O)c(F)c1
InChIInChI=1S/C15H12ClFO4/c1-20-11-4-2-9(13(17)7-11)8-21-14-6-10(16)3-5-12(14)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyFRZCPNIDAAWECW-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.76
Rot. Bonds5

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

4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid (PubChem CID 102875975) has the molecular formula C15H12ClFO4 and a molecular weight of 310.71 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
PubChem CID102875975
Molecular FormulaC15H12ClFO4
Molecular Weight310.71 g/mol
Exact Mass310.04
IUPAC Name4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccc(COc2cc(Cl)ccc2C(=O)O)c(F)c1
InChIInChI=1S/C15H12ClFO4/c1-20-11-4-2-9(13(17)7-11)8-21-14-6-10(16)3-5-12(14)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyFRZCPNIDAAWECW-UHFFFAOYSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 102875976
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
CID 103037706
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
3-[(4-chloro-2-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 114847687
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid (CID 102875975) is 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid is COc1ccc(COc2cc(Cl)ccc2C(=O)O)c(F)c1.
What is the InChIKey of 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is FRZCPNIDAAWECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO4/c1-20-11-4-2-9(13(17)7-11)8-21-14-6-10(16)3-5-12(14)15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid has a molecular weight of 310.71 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 102875975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).