4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid

C15H11Cl2NO4 — CID 18405218

IUPAC4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid
SMILESCOc1cc2c(cc(C(=O)O)n2Cc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H11Cl2NO4/c1-21-14-6-11-13(22-14)5-12(15(19)20)18(11)7-8-2-3-9(16)10(17)4-8/h2-6H,7H2,1H3,(H,19,20)
InChIKeyIBTAGDGFXHASNI-UHFFFAOYSA-N
MW340.16 g/mol
LogP4.30
Rot. Bonds4

About 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid

4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 18405218) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid
PubChem CID18405218
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid
SMILESCOc1cc2c(cc(C(=O)O)n2Cc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H11Cl2NO4/c1-21-14-6-11-13(22-14)5-12(15(19)20)18(11)7-8-2-3-9(16)10(17)4-8/h2-6H,7H2,1H3,(H,19,20)
InChIKeyIBTAGDGFXHASNI-UHFFFAOYSA-N
XLogP4.30
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid (CID 18405218) is 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid is COc1cc2c(cc(C(=O)O)n2Cc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is IBTAGDGFXHASNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c1-21-14-6-11-13(22-14)5-12(15(19)20)18(11)7-8-2-3-9(16)10(17)4-8/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid?
4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 340.16 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-2-methoxyfuro[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 18405218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).