4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid

C14H9ClF2O3 — CID 65124850

IUPAC4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(OCc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C14H9ClF2O3/c15-10-3-1-2-8(4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyFEKNHUFUEXHFSL-UHFFFAOYSA-N
MW298.67 g/mol
LogP3.90
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid

4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid (PubChem CID 65124850) has the molecular formula C14H9ClF2O3 and a molecular weight of 298.67 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
PubChem CID65124850
Molecular FormulaC14H9ClF2O3
Molecular Weight298.67 g/mol
Exact Mass298.02
IUPAC Name4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(OCc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C14H9ClF2O3/c15-10-3-1-2-8(4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyFEKNHUFUEXHFSL-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.67
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 79887700
4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorobenzoic acid
CID 79880846
3-[(2,6-dichlorophenoxy)methyl]benzoic acid
CID 19619632
3-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid
CID 23648095
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107881642
3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
CID 63183787
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid (CID 65124850) is 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid is O=C(O)c1cc(F)c(OCc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid?
The InChIKey is FEKNHUFUEXHFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O3/c15-10-3-1-2-8(4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2,(H,18,19).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid?
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid has a molecular weight of 298.67 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid is sourced from PubChem (CID 65124850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).