2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid

C23H23NO4 — CID 146037660

IUPAC2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid
SMILESCOc1ccc(C2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)cc1
InChIInChI=1S/C23H23NO4/c1-27-17-10-8-16(9-11-17)21-7-4-14-24(21)15-18-12-13-22(28-18)19-5-2-3-6-20(19)23(25)26/h2-3,5-6,8-13,21H,4,7,14-15H2,1H3,(H,25,26)
InChIKeyWSOPOYZHMFAKPF-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.99
Rot. Bonds6

About 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid

2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid (PubChem CID 146037660) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid
PubChem CID146037660
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid
SMILESCOc1ccc(C2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)cc1
InChIInChI=1S/C23H23NO4/c1-27-17-10-8-16(9-11-17)21-7-4-14-24(21)15-18-12-13-22(28-18)19-5-2-3-6-20(19)23(25)26/h2-3,5-6,8-13,21H,4,7,14-15H2,1H3,(H,25,26)
InChIKeyWSOPOYZHMFAKPF-UHFFFAOYSA-N
XLogP4.99
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid (CID 146037660) is 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid is COc1ccc(C2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)cc1.
What is the InChIKey of 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid?
The InChIKey is WSOPOYZHMFAKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-27-17-10-8-16(9-11-17)21-7-4-14-24(21)15-18-12-13-22(28-18)19-5-2-3-6-20(19)23(25)26/h2-3,5-6,8-13,21H,4,7,14-15H2,1H3,(H,25,26).
What are the key properties of 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid?
2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid has a molecular weight of 377.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 146037660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).