2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid

C16H10ClFO4 — CID 164580629

IUPAC2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2cccc3cc(CF)oc23)cc1Cl
InChIInChI=1S/C16H10ClFO4/c17-13-7-10(4-5-12(13)16(19)20)21-14-3-1-2-9-6-11(8-18)22-15(9)14/h1-7H,8H2,(H,19,20)
InChIKeyJSAUVNWXJMSENC-UHFFFAOYSA-N
MW320.70 g/mol
LogP5.05
Rot. Bonds4

About 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid

2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid (PubChem CID 164580629) has the molecular formula C16H10ClFO4 and a molecular weight of 320.70 g/mol. Its IUPAC name is 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid
PubChem CID164580629
Molecular FormulaC16H10ClFO4
Molecular Weight320.70 g/mol
Exact Mass320.03
IUPAC Name2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2cccc3cc(CF)oc23)cc1Cl
InChIInChI=1S/C16H10ClFO4/c17-13-7-10(4-5-12(13)16(19)20)21-14-3-1-2-9-6-11(8-18)22-15(9)14/h1-7H,8H2,(H,19,20)
InChIKeyJSAUVNWXJMSENC-UHFFFAOYSA-N
XLogP5.05
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.70
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate
CID 164580543
2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide
CID 164580605
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
[2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 164580654
[2-chloro-4-[(2-ethyl-1-benzofuran-7-yl)oxy]phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 164580695
4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol
CID 22889023
4-naphthalen-1-yloxyphthalic acid
CID 174697498
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
2-chloro-4-quinolin-7-yloxybenzoic acid
CID 107315358
5-(3,4-dichlorophenoxy)naphthalene-2-carboxylic acid
CID 155213927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid?
The IUPAC name of 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid (CID 164580629) is 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid?
The canonical SMILES for 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid is O=C(O)c1ccc(Oc2cccc3cc(CF)oc23)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid?
The InChIKey is JSAUVNWXJMSENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO4/c17-13-7-10(4-5-12(13)16(19)20)21-14-3-1-2-9-6-11(8-18)22-15(9)14/h1-7H,8H2,(H,19,20).
What are the key properties of 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid?
2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid has a molecular weight of 320.70 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid is sourced from PubChem (CID 164580629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).