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

C14H9ClF2O3 — CID 90329310

IUPAC2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C14H9ClF2O3/c15-12-4-3-10(6-11(12)14(18)19)20-7-8-1-2-9(16)5-13(8)17/h1-6H,7H2,(H,18,19)
InChIKeyPJYZDTKRSIQGHR-UHFFFAOYSA-N
MW298.67 g/mol
LogP3.90
Rot. Bonds4

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

2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid (PubChem CID 90329310) has the molecular formula C14H9ClF2O3 and a molecular weight of 298.67 g/mol. Its IUPAC name is 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
PubChem CID90329310
Molecular FormulaC14H9ClF2O3
Molecular Weight298.67 g/mol
Exact Mass298.02
IUPAC Name2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C14H9ClF2O3/c15-12-4-3-10(6-11(12)14(18)19)20-7-8-1-2-9(16)5-13(8)17/h1-6H,7H2,(H,18,19)
InChIKeyPJYZDTKRSIQGHR-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

5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
CID 106500786
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
3,5-dichloro-4-[[2-chloro-5-[(4-chloro-2-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 78319503
5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
CID 11488228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid (CID 90329310) is 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid is O=C(O)c1cc(OCc2ccc(F)cc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid?
The InChIKey is PJYZDTKRSIQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O3/c15-12-4-3-10(6-11(12)14(18)19)20-7-8-1-2-9(16)5-13(8)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid?
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic 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 2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 90329310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).