(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol

C17H12Cl3NO — CID 129383198

IUPAC(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
SMILESO[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl3NO/c18-11-3-1-10(2-4-11)14-8-21-9-15(14)17(22)13-6-5-12(19)7-16(13)20/h1-9,17,21-22H/t17-/m0/s1
InChIKeyYBWXITPHSKLDCX-KRWDZBQOSA-N
MW352.65 g/mol
LogP5.72
Rot. Bonds3

About (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol

(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol (PubChem CID 129383198) has the molecular formula C17H12Cl3NO and a molecular weight of 352.65 g/mol. Its IUPAC name is (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
PubChem CID129383198
Molecular FormulaC17H12Cl3NO
Molecular Weight352.65 g/mol
Exact Mass351.00
IUPAC Name(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
SMILESO[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl3NO/c18-11-3-1-10(2-4-11)14-8-21-9-15(14)17(22)13-6-5-12(19)7-16(13)20/h1-9,17,21-22H/t17-/m0/s1
InChIKeyYBWXITPHSKLDCX-KRWDZBQOSA-N
XLogP5.72
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol 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

(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol
CID 10572263
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
CID 129384462
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol
CID 11452367
(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol
CID 57098054
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
1-[(2,4-dichlorophenyl)-[4-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 6481293
1-[(2,4-dichlorophenyl)-[4-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 155561094
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 81266328
(2,4-dichlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 167910776
(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61270452

Frequently Asked Questions

What is the IUPAC name of (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol?
The IUPAC name of (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol (CID 129383198) is (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol.
What is the SMILES notation for (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol?
The canonical SMILES for (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol is O[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccc(Cl)cc1.
What is the InChIKey of (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol?
The InChIKey is YBWXITPHSKLDCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H12Cl3NO/c18-11-3-1-10(2-4-11)14-8-21-9-15(14)17(22)13-6-5-12(19)7-16(13)20/h1-9,17,21-22H/t17-/m0/s1.
What are the key properties of (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol?
(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol has a molecular weight of 352.65 g/mol, XLogP of 5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol is sourced from PubChem (CID 129383198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).