1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol

C20H24N2O4 — CID 91207645

IUPAC1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(Cc2cccc(Cn3c(O)c(C)c(C)c3O)c2)c1O
InChIInChI=1S/C20H24N2O4/c1-11-12(2)18(24)21(17(11)23)9-15-6-5-7-16(8-15)10-22-19(25)13(3)14(4)20(22)26/h5-8,23-26H,9-10H2,1-4H3
InChIKeyIUNMEJAPLIXHSH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.44
Rot. Bonds4

About 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol

1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol (PubChem CID 91207645) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol
PubChem CID91207645
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(Cc2cccc(Cn3c(O)c(C)c(C)c3O)c2)c1O
InChIInChI=1S/C20H24N2O4/c1-11-12(2)18(24)21(17(11)23)9-15-6-5-7-16(8-15)10-22-19(25)13(3)14(4)20(22)26/h5-8,23-26H,9-10H2,1-4H3
InChIKeyIUNMEJAPLIXHSH-UHFFFAOYSA-N
XLogP3.44
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol?
The IUPAC name of 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol (CID 91207645) is 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol.
What is the SMILES notation for 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol?
The canonical SMILES for 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol is Cc1c(C)c(O)n(Cc2cccc(Cn3c(O)c(C)c(C)c3O)c2)c1O.
What is the InChIKey of 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol?
The InChIKey is IUNMEJAPLIXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-11-12(2)18(24)21(17(11)23)9-15-6-5-7-16(8-15)10-22-19(25)13(3)14(4)20(22)26/h5-8,23-26H,9-10H2,1-4H3.
What are the key properties of 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol?
1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol has a molecular weight of 356.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-diol is sourced from PubChem (CID 91207645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).