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

C14H9Cl2FO3 — CID 102616219

IUPAC3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C14H9Cl2FO3/c15-11-5-4-9(17)6-8(11)7-20-13-10(14(18)19)2-1-3-12(13)16/h1-6H,7H2,(H,18,19)
InChIKeyDRUPXCSWYKIBSC-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.41
Rot. Bonds4

About 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid

3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid (PubChem CID 102616219) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
PubChem CID102616219
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C14H9Cl2FO3/c15-11-5-4-9(17)6-8(11)7-20-13-10(14(18)19)2-1-3-12(13)16/h1-6H,7H2,(H,18,19)
InChIKeyDRUPXCSWYKIBSC-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102616221
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
3-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102666745
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533
2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102855411
1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid
CID 89444227

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid (CID 102616219) is 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid is O=C(O)c1cccc(Cl)c1OCc1cc(F)ccc1Cl.
What is the InChIKey of 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid?
The InChIKey is DRUPXCSWYKIBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-11-5-4-9(17)6-8(11)7-20-13-10(14(18)19)2-1-3-12(13)16/h1-6H,7H2,(H,18,19).
What are the key properties of 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid?
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid has a molecular weight of 315.13 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 102616219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).