4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid

C14H8ClF3O3 — CID 62703071

IUPAC4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H8ClF3O3/c15-11-3-1-2-4-12(11)21-8-5-6-9(13(19)20)10(7-8)14(16,17)18/h1-7H,(H,19,20)
InChIKeyFPWWLOVXCLJSMQ-UHFFFAOYSA-N
MW316.66 g/mol
LogP4.85
Rot. Bonds3

About 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid

4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid (PubChem CID 62703071) has the molecular formula C14H8ClF3O3 and a molecular weight of 316.66 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
PubChem CID62703071
Molecular FormulaC14H8ClF3O3
Molecular Weight316.66 g/mol
Exact Mass316.01
IUPAC Name4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H8ClF3O3/c15-11-3-1-2-4-12(11)21-8-5-6-9(13(19)20)10(7-8)14(16,17)18/h1-7H,(H,19,20)
InChIKeyFPWWLOVXCLJSMQ-UHFFFAOYSA-N
XLogP4.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.66
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 107677517
4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene
CID 173140895
4-(2-hydroxyphenoxy)-2-(trifluoromethyl)benzamide
CID 60869523
4-[4-[4,5-dicarboxy-2-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)phthalic acid
CID 19782932
4-(2-iodophenoxy)-2-(trifluoromethyl)benzamide
CID 61400707
3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 175510558
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
CID 144993710
6-(2-chlorophenoxy)quinoline-4-carboxylic acid
CID 102941682
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid
CID 71326930

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid (CID 62703071) is 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(Oc2ccccc2Cl)cc1C(F)(F)F.
What is the InChIKey of 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid?
The InChIKey is FPWWLOVXCLJSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O3/c15-11-3-1-2-4-12(11)21-8-5-6-9(13(19)20)10(7-8)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid?
4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid has a molecular weight of 316.66 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 62703071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).