3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol

C22H25NO2 — CID 90890207

IUPAC3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol
SMILESCC(Cc1c(O)[nH]c(O)c1CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-15(17-9-5-3-6-10-17)13-19-20(22(25)23-21(19)24)14-16(2)18-11-7-4-8-12-18/h3-12,15-16,23-25H,13-14H2,1-2H3
InChIKeyDMACSFBQDSCYLT-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.12
Rot. Bonds6

About 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol

3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol (PubChem CID 90890207) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol
PubChem CID90890207
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol
SMILESCC(Cc1c(O)[nH]c(O)c1CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-15(17-9-5-3-6-10-17)13-19-20(22(25)23-21(19)24)14-16(2)18-11-7-4-8-12-18/h3-12,15-16,23-25H,13-14H2,1-2H3
InChIKeyDMACSFBQDSCYLT-UHFFFAOYSA-N
XLogP5.12
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3,4-bis(2-phenylpropyl)-1H-pyrrole-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

Related Compounds

[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,4-bis(2-phenylpropyl)benzene
CID 19376086
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
2,4-bis(2-phenylpropyl)phenol
CID 118278794
3-phenylbutane-1,1-diol
CID 18417931
bis(2-phenylpropoxy)methanol
CID 89428538
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
5-(2-phenylpropyl)-2H-tetrazole
CID 130947547
2,14-diphenylpentadecan-8-ol
CID 71175182
6-methyl-2-phenylnonan-4-ol
CID 65150012

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol?
The IUPAC name of 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol (CID 90890207) is 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol is CC(Cc1c(O)[nH]c(O)c1CC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol?
The InChIKey is DMACSFBQDSCYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15(17-9-5-3-6-10-17)13-19-20(22(25)23-21(19)24)14-16(2)18-11-7-4-8-12-18/h3-12,15-16,23-25H,13-14H2,1-2H3.
What are the key properties of 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol?
3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol has a molecular weight of 335.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 90890207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).