2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid

C16H10ClF3O6 — CID 23355677

IUPAC2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)COc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1C(=O)O
InChIInChI=1S/C16H10ClF3O6/c17-11-5-8(16(18,19)20)1-3-13(11)26-9-2-4-12(25-7-14(21)22)10(6-9)15(23)24/h1-6H,7H2,(H,21,22)(H,23,24)
InChIKeyYEXRVAGNZWRZRK-UHFFFAOYSA-N
MW390.70 g/mol
LogP4.31
Rot. Bonds6

About 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid

2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 23355677) has the molecular formula C16H10ClF3O6 and a molecular weight of 390.70 g/mol. Its IUPAC name is 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID23355677
Molecular FormulaC16H10ClF3O6
Molecular Weight390.70 g/mol
Exact Mass390.01
IUPAC Name2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)COc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1C(=O)O
InChIInChI=1S/C16H10ClF3O6/c17-11-5-8(16(18,19)20)1-3-13(11)26-9-2-4-12(25-7-14(21)22)10(6-9)15(23)24/h1-6H,7H2,(H,21,22)(H,23,24)
InChIKeyYEXRVAGNZWRZRK-UHFFFAOYSA-N
XLogP4.31
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.70
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-chlorobenzoic acid
CID 57194158
2-[2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenoxy]phenoxy]acetic acid
CID 19932402
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid;2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 90257110
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 87743733
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid;N-methylmethanamine
CID 12960256
2-[(E)-1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethylideneamino]oxyacetic acid
CID 13423497
3-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CID 68675820
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
potassium 1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-methoxyethanone
CID 70354724

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid (CID 23355677) is 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid is O=C(O)COc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1C(=O)O.
What is the InChIKey of 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is YEXRVAGNZWRZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3O6/c17-11-5-8(16(18,19)20)1-3-13(11)26-9-2-4-12(25-7-14(21)22)10(6-9)15(23)24/h1-6H,7H2,(H,21,22)(H,23,24).
What are the key properties of 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid has a molecular weight of 390.70 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 23355677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).