1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene

C20H31FO — CID 57074379

IUPAC1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
SMILESCCCCOc1ccc(C2CCC(CCCC)CC2)cc1F
InChIInChI=1S/C20H31FO/c1-3-5-7-16-8-10-17(11-9-16)18-12-13-20(19(21)15-18)22-14-6-4-2/h12-13,15-17H,3-11,14H2,1-2H3
InChIKeyWVSLUNYRHFDMHG-UHFFFAOYSA-N
MW306.47 g/mol
LogP6.47
Rot. Bonds8

About 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene

1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene (PubChem CID 57074379) has the molecular formula C20H31FO and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
PubChem CID57074379
Molecular FormulaC20H31FO
Molecular Weight306.47 g/mol
Exact Mass306.24
IUPAC Name1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
SMILESCCCCOc1ccc(C2CCC(CCCC)CC2)cc1F
InChIInChI=1S/C20H31FO/c1-3-5-7-16-8-10-17(11-9-16)18-12-13-20(19(21)15-18)22-14-6-4-2/h12-13,15-17H,3-11,14H2,1-2H3
InChIKeyWVSLUNYRHFDMHG-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene 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

1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
1-butoxy-2-fluoro-4-[4-[4-[4-(4-methylidenecyclohexyl)cyclohexyl]butyl]cyclohexyl]benzene
CID 59498940
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
CID 57265159
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 59874068
1-butoxy-2-methyl-4-(4-nonylcyclohexyl)benzene
CID 18646819
2,3-difluoro-1-[2-fluoro-4-(4-octylcyclohexyl)phenyl]-4-nonoxybenzene
CID 59874121
2,3-difluoro-1-[2-[4-(3-fluoro-4-hexoxyphenyl)cyclohexyl]ethyl]-4-methylbenzene
CID 58141552
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene?
The IUPAC name of 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene (CID 57074379) is 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene.
What is the SMILES notation for 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene?
The canonical SMILES for 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene is CCCCOc1ccc(C2CCC(CCCC)CC2)cc1F.
What is the InChIKey of 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene?
The InChIKey is WVSLUNYRHFDMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FO/c1-3-5-7-16-8-10-17(11-9-16)18-12-13-20(19(21)15-18)22-14-6-4-2/h12-13,15-17H,3-11,14H2,1-2H3.
What are the key properties of 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene?
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene has a molecular weight of 306.47 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene is sourced from PubChem (CID 57074379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).