4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid

C24H25NO6 — CID 155988650

IUPAC4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid
SMILESCOc1ccc(OC)c(C2CCCN2Cc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1
InChIInChI=1S/C24H25NO6/c1-29-16-6-10-23(30-2)19(13-16)20-4-3-11-25(20)14-17-7-9-22(31-17)15-5-8-18(24(27)28)21(26)12-15/h5-10,12-13,20,26H,3-4,11,14H2,1-2H3,(H,27,28)
InChIKeyGJYYTRRCOIWLLD-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.70
Rot. Bonds7

About 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid

4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid (PubChem CID 155988650) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid
PubChem CID155988650
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid
SMILESCOc1ccc(OC)c(C2CCCN2Cc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1
InChIInChI=1S/C24H25NO6/c1-29-16-6-10-23(30-2)19(13-16)20-4-3-11-25(20)14-17-7-9-22(31-17)15-5-8-18(24(27)28)21(26)12-15/h5-10,12-13,20,26H,3-4,11,14H2,1-2H3,(H,27,28)
InChIKeyGJYYTRRCOIWLLD-UHFFFAOYSA-N
XLogP4.70
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 78815481
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 40795104
(2S)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 26522180
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 8833523
2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8832997
N-(2,6-dichlorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 24589296
N-(cyclopentylcarbamoyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46671211

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid (CID 155988650) is 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid is COc1ccc(OC)c(C2CCCN2Cc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1.
What is the InChIKey of 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid?
The InChIKey is GJYYTRRCOIWLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-29-16-6-10-23(30-2)19(13-16)20-4-3-11-25(20)14-17-7-9-22(31-17)15-5-8-18(24(27)28)21(26)12-15/h5-10,12-13,20,26H,3-4,11,14H2,1-2H3,(H,27,28).
What are the key properties of 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid?
4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid has a molecular weight of 423.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]furan-2-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 155988650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).