5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol

C17H23NO4 — CID 57176427

IUPAC5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol
SMILESCOc1ccc(CCC(c2ccc[nH]2)C(O)CO)cc1OC
InChIInChI=1S/C17H23NO4/c1-21-16-8-6-12(10-17(16)22-2)5-7-13(15(20)11-19)14-4-3-9-18-14/h3-4,6,8-10,13,15,18-20H,5,7,11H2,1-2H3
InChIKeyGCIVXIQVHJGQBY-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.10
Rot. Bonds8

About 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol

5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol (PubChem CID 57176427) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol
PubChem CID57176427
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol
SMILESCOc1ccc(CCC(c2ccc[nH]2)C(O)CO)cc1OC
InChIInChI=1S/C17H23NO4/c1-21-16-8-6-12(10-17(16)22-2)5-7-13(15(20)11-19)14-4-3-9-18-14/h3-4,6,8-10,13,15,18-20H,5,7,11H2,1-2H3
InChIKeyGCIVXIQVHJGQBY-UHFFFAOYSA-N
XLogP2.10
TPSA74.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-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 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol (CID 57176427) is 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol is COc1ccc(CCC(c2ccc[nH]2)C(O)CO)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol?
The InChIKey is GCIVXIQVHJGQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-21-16-8-6-12(10-17(16)22-2)5-7-13(15(20)11-19)14-4-3-9-18-14/h3-4,6,8-10,13,15,18-20H,5,7,11H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol?
5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol has a molecular weight of 305.37 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)pentane-1,2-diol is sourced from PubChem (CID 57176427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).