4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene

C26H35FO — CID 173349723

IUPAC4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
SMILESCCCCCCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F
InChIInChI=1S/C26H35FO/c1-2-3-4-5-6-10-19-28-26-18-17-24(20-25(26)27)23-15-13-22(14-16-23)21-11-8-7-9-12-21/h13-18,20-21H,2-12,19H2,1H3
InChIKeyYPZOQUWDBYKGEX-UHFFFAOYSA-N
MW382.56 g/mol
LogP8.28
Rot. Bonds10

About 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene

4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene (PubChem CID 173349723) has the molecular formula C26H35FO and a molecular weight of 382.56 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
PubChem CID173349723
Molecular FormulaC26H35FO
Molecular Weight382.56 g/mol
Exact Mass382.27
IUPAC Name4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
SMILESCCCCCCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F
InChIInChI=1S/C26H35FO/c1-2-3-4-5-6-10-19-28-26-18-17-24(20-25(26)27)23-15-13-22(14-16-23)21-11-8-7-9-12-21/h13-18,20-21H,2-12,19H2,1H3
InChIKeyYPZOQUWDBYKGEX-UHFFFAOYSA-N
XLogP8.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.56
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene 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-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
CID 173349754
4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
CID 18960186
5-(4-cyclohexylphenyl)-2-pentoxybenzonitrile
CID 173349800
5-(4-cyclohexylphenyl)-2-octoxypyrimidine
CID 54380230
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
CID 57265159
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
1-cyclohexyl-4-heptoxybenzene
CID 56628106
2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
CID 57117774
4-(3-fluoro-4-heptoxyphenyl)benzoic acid
CID 54109245
4-(3-fluoro-4-hexoxyphenyl)benzoic acid
CID 54340941

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene?
The IUPAC name of 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene (CID 173349723) is 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene?
The canonical SMILES for 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene is CCCCCCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F.
What is the InChIKey of 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene?
The InChIKey is YPZOQUWDBYKGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FO/c1-2-3-4-5-6-10-19-28-26-18-17-24(20-25(26)27)23-15-13-22(14-16-23)21-11-8-7-9-12-21/h13-18,20-21H,2-12,19H2,1H3.
What are the key properties of 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene?
4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene has a molecular weight of 382.56 g/mol, XLogP of 8.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene is sourced from PubChem (CID 173349723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).