2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid

C16H13ClO4 — CID 106500778

IUPAC2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(OCC2COc3ccccc32)ccc1Cl
InChIInChI=1S/C16H13ClO4/c17-14-6-5-11(7-13(14)16(18)19)20-8-10-9-21-15-4-2-1-3-12(10)15/h1-7,10H,8-9H2,(H,18,19)
InChIKeyUEGIPPKJUCRAKK-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid

2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid (PubChem CID 106500778) has the molecular formula C16H13ClO4 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
PubChem CID106500778
Molecular FormulaC16H13ClO4
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(OCC2COc3ccccc32)ccc1Cl
InChIInChI=1S/C16H13ClO4/c17-14-6-5-11(7-13(14)16(18)19)20-8-10-9-21-15-4-2-1-3-12(10)15/h1-7,10H,8-9H2,(H,18,19)
InChIKeyUEGIPPKJUCRAKK-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-Chlorophenyl)methoxy]benzoic acid
CID 8707035
3-((4-Chlorophenyl)methoxy)benzoic acid
CID 918455
2-Chloro-5-(4-chlorophenoxy)benzoic acid
CID 139594202
3-{4-[2-(Benzyloxy)-5-chloro-phenyl]-2-oxo-2,5-dihydro-furan-3-yl}-benzoic Acid
CID 11154379
3-{3-[2-(Benzyloxy)-5-chloro-phenyl]-2-oxo-2,5-dihydro-furan-4-yl}-benzoic Acid
CID 11223916
5-chloro-6-phenyl-3H-1-benzofuran-2-one
CID 20289606
3-[(2,4-Dichlorobenzyl)oxy]benzoic acid
CID 961606
3-[(2-Chlorobenzyl)oxy]benzoic acid
CID 663786
(7-Methyl-2-oxochromen-4-yl)methyl 2-chlorobenzoate
CID 2624196
5-chloro-3-methyl-6-phenyl-3H-1-benzofuran-2-one
CID 44282972
6-[2-(4-chlorophenoxy)ethoxy]-3H-2-benzofuran-1-one
CID 71559917
3-[5-[2-Chloro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]propanoic acid
CID 134133275

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid?
The IUPAC name of 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid (CID 106500778) is 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid?
The canonical SMILES for 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid is O=C(O)c1cc(OCC2COc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid?
The InChIKey is UEGIPPKJUCRAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO4/c17-14-6-5-11(7-13(14)16(18)19)20-8-10-9-21-15-4-2-1-3-12(10)15/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid?
2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid has a molecular weight of 304.73 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 106500778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).