5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid

C13H11ClO5 — CID 106947326

IUPAC5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H11ClO5/c1-18-9-3-2-7(14)6-8(9)12(15)10-4-5-11(19-10)13(16)17/h2-6,12,15H,1H3,(H,16,17)
InChIKeyYJSNBZZQUMIRLJ-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.72
Rot. Bonds4

About 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid

5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid (PubChem CID 106947326) has the molecular formula C13H11ClO5 and a molecular weight of 282.68 g/mol. Its IUPAC name is 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid
PubChem CID106947326
Molecular FormulaC13H11ClO5
Molecular Weight282.68 g/mol
Exact Mass282.03
IUPAC Name5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid
SMILESCOc1ccc(Cl)cc1C(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H11ClO5/c1-18-9-3-2-7(14)6-8(9)12(15)10-4-5-11(19-10)13(16)17/h2-6,12,15H,1H3,(H,16,17)
InChIKeyYJSNBZZQUMIRLJ-UHFFFAOYSA-N
XLogP2.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-chloro-2-fluorophenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946463
(5-chloro-2-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 104546223
5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid
CID 103233651
5-(5-chloro-2-methoxyanilino)furan-2-carboxylic acid
CID 62204586
5-[2-(3,4-dimethoxyphenyl)-1-hydroxyethyl]furan-2-carboxylic acid
CID 106947420
5-[1-(4-chloro-2-methylphenoxy)ethyl]furan-2-carboxylic acid
CID 79084151
5-[1-(2,4-dichlorophenyl)ethyl]furan-2-carboxylic acid
CID 21387563
5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
CID 106946154
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid (CID 106947326) is 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid is COc1ccc(Cl)cc1C(O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid?
The InChIKey is YJSNBZZQUMIRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO5/c1-18-9-3-2-7(14)6-8(9)12(15)10-4-5-11(19-10)13(16)17/h2-6,12,15H,1H3,(H,16,17).
What are the key properties of 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid?
5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid has a molecular weight of 282.68 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 106947326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).