4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol

C25H22ClNO3 — CID 71453742

IUPAC4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol
SMILESCCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl
InChIInChI=1S/C25H22ClNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3
InChIKeyIEGRVLKSKLLSLS-UHFFFAOYSA-N
MW419.91 g/mol
LogP6.67
Rot. Bonds5

About 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol

4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol (PubChem CID 71453742) has the molecular formula C25H22ClNO3 and a molecular weight of 419.91 g/mol. Its IUPAC name is 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol.

Molecular Properties

Compound Name4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol
PubChem CID71453742
Molecular FormulaC25H22ClNO3
Molecular Weight419.91 g/mol
Exact Mass419.13
IUPAC Name4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol
SMILESCCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl
InChIInChI=1S/C25H22ClNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3
InChIKeyIEGRVLKSKLLSLS-UHFFFAOYSA-N
XLogP6.67
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol 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

4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71457218
4-[2,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-3-yl]-3-fluorophenol
CID 71450113
4-[3,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71453712
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71457266
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71459076
4-[4,5-Bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71460882
5-(2,6-Dichloro-4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile
CID 137648986
4-[1,5-Bis(4-hydroxyphenyl)-4-propylpyrrol-3-yl]phenol
CID 71455440
2-(2-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol
CID 155532947
2-(2-chlorophenyl)-4-(4-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol
CID 155561245
4-[3,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-chlorophenol
CID 71450112
4-[3,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
CID 71453711

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol?
The IUPAC name of 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol (CID 71453742) is 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol.
What is the SMILES notation for 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol?
The canonical SMILES for 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol is CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl.
What is the InChIKey of 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol?
The InChIKey is IEGRVLKSKLLSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3.
What are the key properties of 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol?
4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol has a molecular weight of 419.91 g/mol, XLogP of 6.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-chlorophenol is sourced from PubChem (CID 71453742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).