2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid

C14H9Cl2FO3 — CID 115982957

IUPAC2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H9Cl2FO3/c15-9-4-2-6-11(12(9)14(18)19)20-7-8-3-1-5-10(17)13(8)16/h1-6H,7H2,(H,18,19)
InChIKeyJSYSDKWJEPOCLP-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.41
Rot. Bonds4

About 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid

2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid (PubChem CID 115982957) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
PubChem CID115982957
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H9Cl2FO3/c15-9-4-2-6-11(12(9)14(18)19)20-7-8-3-1-5-10(17)13(8)16/h1-6H,7H2,(H,18,19)
InChIKeyJSYSDKWJEPOCLP-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-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
2-chloro-6-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 107905985
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
2-[(3-chloro-2-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 102855950
[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 115983156
(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid
CID 104875534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid (CID 115982957) is 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid is O=C(O)c1c(Cl)cccc1OCc1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid?
The InChIKey is JSYSDKWJEPOCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-9-4-2-6-11(12(9)14(18)19)20-7-8-3-1-5-10(17)13(8)16/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid?
2-chloro-6-[(2-chloro-3-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 2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 115982957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).