5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid

C10H7ClO5 — CID 106947249

IUPAC5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccc(Cl)o2)o1
InChIInChI=1S/C10H7ClO5/c11-8-4-3-6(16-8)9(12)5-1-2-7(15-5)10(13)14/h1-4,9,12H,(H,13,14)
InChIKeyWVLZQBCYQCOIOI-UHFFFAOYSA-N
MW242.61 g/mol
LogP2.31
Rot. Bonds3

About 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid

5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid (PubChem CID 106947249) has the molecular formula C10H7ClO5 and a molecular weight of 242.61 g/mol. Its IUPAC name is 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
PubChem CID106947249
Molecular FormulaC10H7ClO5
Molecular Weight242.61 g/mol
Exact Mass242.00
IUPAC Name5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccc(Cl)o2)o1
InChIInChI=1S/C10H7ClO5/c11-8-4-3-6(16-8)9(12)5-1-2-7(15-5)10(13)14/h1-4,9,12H,(H,13,14)
InChIKeyWVLZQBCYQCOIOI-UHFFFAOYSA-N
XLogP2.31
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106945911
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887
5-[(4-chloro-2-fluorophenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946463
5-[(3-chloro-4-methylphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946508
5-[hydroxy-(4-methylthiadiazol-5-yl)methyl]furan-2-carboxylic acid
CID 106947311
5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
CID 170823605
5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
CID 106945921
5-[(5-chloro-2-methoxyphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947326
5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947224
5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid
CID 170903953
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[hydroxy-(4-methylsulfonylphenyl)methyl]furan-2-carboxylic acid
CID 106947214

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid (CID 106947249) is 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(O)c2ccc(Cl)o2)o1.
What is the InChIKey of 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid?
The InChIKey is WVLZQBCYQCOIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO5/c11-8-4-3-6(16-8)9(12)5-1-2-7(15-5)10(13)14/h1-4,9,12H,(H,13,14).
What are the key properties of 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid?
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid has a molecular weight of 242.61 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 106947249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).