2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid

C14H9Cl2FO3 — CID 115298074

IUPAC2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H9Cl2FO3/c15-11-2-1-3-12(16)10(11)7-20-13-5-4-8(17)6-9(13)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyCXWKDLCOZVRLSA-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.41
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid

2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid (PubChem CID 115298074) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
PubChem CID115298074
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H9Cl2FO3/c15-11-2-1-3-12(16)10(11)7-20-13-5-4-8(17)6-9(13)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyCXWKDLCOZVRLSA-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

1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 43379989
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 107306486
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
2-[(2-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 63747303
2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
CID 115298124

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid (CID 115298074) is 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid?
The InChIKey is CXWKDLCOZVRLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-11-2-1-3-12(16)10(11)7-20-13-5-4-8(17)6-9(13)14(18)19/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid?
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic 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-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid is sourced from PubChem (CID 115298074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).