2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene

C23H29FO — CID 144809398

IUPAC2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
SMILESCC(C)COc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C23H29FO/c1-16(2)15-25-23-13-12-21(14-22(23)24)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h8-14,16-18H,4-7,15H2,1-3H3
InChIKeyMLQYPOAPOAUPHY-UHFFFAOYSA-N
MW340.48 g/mol
LogP6.82
Rot. Bonds5

About 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene

2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene (PubChem CID 144809398) has the molecular formula C23H29FO and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
PubChem CID144809398
Molecular FormulaC23H29FO
Molecular Weight340.48 g/mol
Exact Mass340.22
IUPAC Name2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
SMILESCC(C)COc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C23H29FO/c1-16(2)15-25-23-13-12-21(14-22(23)24)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h8-14,16-18H,4-7,15H2,1-3H3
InChIKeyMLQYPOAPOAUPHY-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.48
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene 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-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene?
The IUPAC name of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene (CID 144809398) is 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene.
What is the SMILES notation for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene?
The canonical SMILES for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene is CC(C)COc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene?
The InChIKey is MLQYPOAPOAUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FO/c1-16(2)15-25-23-13-12-21(14-22(23)24)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h8-14,16-18H,4-7,15H2,1-3H3.
What are the key properties of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene?
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene has a molecular weight of 340.48 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene is sourced from PubChem (CID 144809398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).