2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid

C16H13ClO4 — CID 114320330

IUPAC2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCC1COc2ccccc21
InChIInChI=1S/C16H13ClO4/c17-12-5-3-7-14(15(12)16(18)19)21-9-10-8-20-13-6-2-1-4-11(10)13/h1-7,10H,8-9H2,(H,18,19)
InChIKeyJSJOMEGZSJQNEB-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid

2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid (PubChem CID 114320330) has the molecular formula C16H13ClO4 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
PubChem CID114320330
Molecular FormulaC16H13ClO4
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCC1COc2ccccc21
InChIInChI=1S/C16H13ClO4/c17-12-5-3-7-14(15(12)16(18)19)21-9-10-8-20-13-6-2-1-4-11(10)13/h1-7,10H,8-9H2,(H,18,19)
InChIKeyJSJOMEGZSJQNEB-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

2-Chloro-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]benzoic acid
CID 90643863
2-Chloro-4-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]benzoic acid
CID 90643864
2-[(2-Chlorophenyl)methoxy]benzoic acid
CID 2360735
5-[2-[(2-Chlorophenyl)methoxy]phenyl]-2-hydroxybenzoic acid
CID 76332733
3-(2-Chlorobenzoyl)-4-hydroxy-2H-chromen-2-one
CID 54687713
2-(4-Chlorophenoxy)benzoic acid
CID 578694
6-Chloro-1-benzofuran-7-carboxylic acid
CID 22140746
2-Chloro-6-(2-chlorophenoxy)benzoic acid
CID 12602961
2-((4-Chlorobenzyl)oxy)benzoic acid
CID 2360737
4-Chloro-2-phenoxybenzoic acid
CID 2801590
7-Benzoyl-5-chloro-2,3-dihydro-1-benzofuran-3-carboxylic acid
CID 13621288
5-Chloro-7-(4-chlorobenzoyl)-2,3-dihydro-1-benzofuran-3-carboxylic acid
CID 13621290

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid?
The IUPAC name of 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid (CID 114320330) is 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid?
The canonical SMILES for 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid is O=C(O)c1c(Cl)cccc1OCC1COc2ccccc21.
What is the InChIKey of 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid?
The InChIKey is JSJOMEGZSJQNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO4/c17-12-5-3-7-14(15(12)16(18)19)21-9-10-8-20-13-6-2-1-4-11(10)13/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid?
2-chloro-6-(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-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 114320330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).