5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid

C14H10Cl2O5 — CID 82140494

IUPAC5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CC(C(=O)O)c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C14H10Cl2O5/c15-9-2-1-3-10(16)12(9)8(13(17)18)6-7-4-5-11(21-7)14(19)20/h1-5,8H,6H2,(H,17,18)(H,19,20)
InChIKeyLLAMQHSWWYAVPY-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.70
Rot. Bonds5

About 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid

5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid (PubChem CID 82140494) has the molecular formula C14H10Cl2O5 and a molecular weight of 329.14 g/mol. Its IUPAC name is 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid
PubChem CID82140494
Molecular FormulaC14H10Cl2O5
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CC(C(=O)O)c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C14H10Cl2O5/c15-9-2-1-3-10(16)12(9)8(13(17)18)6-7-4-5-11(21-7)14(19)20/h1-5,8H,6H2,(H,17,18)(H,19,20)
InChIKeyLLAMQHSWWYAVPY-UHFFFAOYSA-N
XLogP3.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-carboxy-2-[4-(dimethylamino)phenyl]ethyl]furan-2-carboxylic acid
CID 82140513
2-[(5-carboxyfuran-2-yl)methyl]butanedioic acid
CID 118899746
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
2-(2-chloro-6-fluorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 82139950
5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 46371008
5-[[(S)-(2-chlorophenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 92730218
5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-carboxylic acid
CID 4516597
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-[(2,4-dichlorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 20992418
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 111452382
5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid
CID 106946683

Frequently Asked Questions

What is the IUPAC name of 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid (CID 82140494) is 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid is O=C(O)c1ccc(CC(C(=O)O)c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid?
The InChIKey is LLAMQHSWWYAVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O5/c15-9-2-1-3-10(16)12(9)8(13(17)18)6-7-4-5-11(21-7)14(19)20/h1-5,8H,6H2,(H,17,18)(H,19,20).
What are the key properties of 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid?
5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid has a molecular weight of 329.14 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-carboxy-2-(2,6-dichlorophenyl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 82140494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).