[2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol

C26H28F2O2 — CID 21217003

IUPAC[2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol
SMILESCCCCCCc1cc(CO)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C26H28F2O2/c1-2-3-4-5-6-20-15-21(16-29)25(18-7-11-22(27)12-8-18)26(24(20)17-30)19-9-13-23(28)14-10-19/h7-15,29-30H,2-6,16-17H2,1H3
InChIKeyITQYAHCJLKODRZ-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.41
Rot. Bonds9

About [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol

[2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol (PubChem CID 21217003) has the molecular formula C26H28F2O2 and a molecular weight of 410.50 g/mol. Its IUPAC name is [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol
PubChem CID21217003
Molecular FormulaC26H28F2O2
Molecular Weight410.50 g/mol
Exact Mass410.21
IUPAC Name[2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol
SMILESCCCCCCc1cc(CO)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C26H28F2O2/c1-2-3-4-5-6-20-15-21(16-29)25(18-7-11-22(27)12-8-18)26(24(20)17-30)19-9-13-23(28)14-10-19/h7-15,29-30H,2-6,16-17H2,1H3
InChIKeyITQYAHCJLKODRZ-UHFFFAOYSA-N
XLogP6.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol 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 [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol (CID 21217003) is [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol is CCCCCCc1cc(CO)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol?
The InChIKey is ITQYAHCJLKODRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2O2/c1-2-3-4-5-6-20-15-21(16-29)25(18-7-11-22(27)12-8-18)26(24(20)17-30)19-9-13-23(28)14-10-19/h7-15,29-30H,2-6,16-17H2,1H3.
What are the key properties of [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol?
[2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol has a molecular weight of 410.50 g/mol, XLogP of 6.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(4-fluorophenyl)-5-hexyl-4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 21217003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).