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

C21H25FO — CID 18960186

IUPAC4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F
InChIInChI=1S/C21H25FO/c1-2-14-23-21-13-12-19(15-20(21)22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-13,15-16H,2-7,14H2,1H3
InChIKeyMJRSAVCKMXVXRY-UHFFFAOYSA-N
MW312.43 g/mol
LogP6.33
Rot. Bonds5

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

4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene (PubChem CID 18960186) has the molecular formula C21H25FO and a molecular weight of 312.43 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
PubChem CID18960186
Molecular FormulaC21H25FO
Molecular Weight312.43 g/mol
Exact Mass312.19
IUPAC Name4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F
InChIInChI=1S/C21H25FO/c1-2-14-23-21-13-12-19(15-20(21)22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-13,15-16H,2-7,14H2,1H3
InChIKeyMJRSAVCKMXVXRY-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene 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-octoxybenzene
CID 173349723
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
5-(4-cyclohexylphenyl)-2-pentoxybenzonitrile
CID 173349800
2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene
CID 173349768
1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
CID 138459505
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
4-[4-[4-(4-but-3-enylcyclohexyl)phenyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459506
2-fluoro-1-propoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 67864505
1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene?
The IUPAC name of 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene (CID 18960186) is 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene?
The canonical SMILES for 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene is CCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F.
What is the InChIKey of 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene?
The InChIKey is MJRSAVCKMXVXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FO/c1-2-14-23-21-13-12-19(15-20(21)22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-13,15-16H,2-7,14H2,1H3.
What are the key properties of 4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene?
4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene has a molecular weight of 312.43 g/mol, XLogP of 6.33, 5 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-propoxybenzene is sourced from PubChem (CID 18960186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).