4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid

C14H10ClFO3 — CID 102615075

IUPAC4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C14H10ClFO3/c15-13-6-3-11(16)7-10(13)8-19-12-4-1-9(2-5-12)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyVSKWJGLKIXUUTE-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.76
Rot. Bonds4

About 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid

4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid (PubChem CID 102615075) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
PubChem CID102615075
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C14H10ClFO3/c15-13-6-3-11(16)7-10(13)8-19-12-4-1-9(2-5-12)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyVSKWJGLKIXUUTE-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616213
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
CID 102616175
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
CID 102619550
3-chloro-4-[(4-chloro-3-fluorophenoxy)methyl]benzoic acid
CID 102670243
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid (CID 102615075) is 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2cc(F)ccc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid?
The InChIKey is VSKWJGLKIXUUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c15-13-6-3-11(16)7-10(13)8-19-12-4-1-9(2-5-12)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid?
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid has a molecular weight of 280.68 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 102615075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).