(2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol

C23H18FNO — CID 12030251

IUPAC(2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cccc(-n2cccc2)c1F
InChIInChI=1S/C23H18FNO/c24-22-20(14-9-15-21(22)25-16-7-8-17-25)23(26,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,26H
InChIKeyPAMREEICMKJIJK-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.90
Rot. Bonds4

About (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol

(2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol (PubChem CID 12030251) has the molecular formula C23H18FNO and a molecular weight of 343.40 g/mol. Its IUPAC name is (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol.

Molecular Properties

Compound Name(2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol
PubChem CID12030251
Molecular FormulaC23H18FNO
Molecular Weight343.40 g/mol
Exact Mass343.14
IUPAC Name(2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cccc(-n2cccc2)c1F
InChIInChI=1S/C23H18FNO/c24-22-20(14-9-15-21(22)25-16-7-8-17-25)23(26,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,26H
InChIKeyPAMREEICMKJIJK-UHFFFAOYSA-N
XLogP4.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol 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 (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol?
The IUPAC name of (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol (CID 12030251) is (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol.
What is the SMILES notation for (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol?
The canonical SMILES for (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1cccc(-n2cccc2)c1F.
What is the InChIKey of (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol?
The InChIKey is PAMREEICMKJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO/c24-22-20(14-9-15-21(22)25-16-7-8-17-25)23(26,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,26H.
What are the key properties of (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol?
(2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol has a molecular weight of 343.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyrrol-1-ylphenyl)-diphenylmethanol is sourced from PubChem (CID 12030251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).