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

C22H35FO — CID 57265159

IUPAC4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
SMILESCCCCCCCCOc1ccc(C2CCC(CC)CC2)cc1F
InChIInChI=1S/C22H35FO/c1-3-5-6-7-8-9-16-24-22-15-14-20(17-21(22)23)19-12-10-18(4-2)11-13-19/h14-15,17-19H,3-13,16H2,1-2H3
InChIKeyXSGHTWNBANPKPJ-UHFFFAOYSA-N
MW334.52 g/mol
LogP7.25
Rot. Bonds10

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

4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene (PubChem CID 57265159) has the molecular formula C22H35FO and a molecular weight of 334.52 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
PubChem CID57265159
Molecular FormulaC22H35FO
Molecular Weight334.52 g/mol
Exact Mass334.27
IUPAC Name4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
SMILESCCCCCCCCOc1ccc(C2CCC(CC)CC2)cc1F
InChIInChI=1S/C22H35FO/c1-3-5-6-7-8-9-16-24-22-15-14-20(17-21(22)23)19-12-10-18(4-2)11-13-19/h14-15,17-19H,3-13,16H2,1-2H3
InChIKeyXSGHTWNBANPKPJ-UHFFFAOYSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.52
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
2,3-difluoro-1-[2-[4-(3-fluoro-4-hexoxyphenyl)cyclohexyl]ethyl]-4-methylbenzene
CID 58141552
2,3-difluoro-1-[2-fluoro-4-(4-octylcyclohexyl)phenyl]-4-nonoxybenzene
CID 59874121
2,3-difluoro-1-[[4-(3-fluoro-4-pentoxyphenyl)cyclohexyl]oxymethyl]-4-methylbenzene
CID 58140629
4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
CID 173349723
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
1-butoxy-2-fluoro-4-[4-[4-[4-(4-methylidenecyclohexyl)cyclohexyl]butyl]cyclohexyl]benzene
CID 59498940
4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
CID 173349754
2,3-difluoro-1-[4-[2-fluoro-4-[4-(methoxymethyl)cyclohexyl]phenyl]phenyl]-4-hexoxybenzene
CID 67730040
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-pentoxybenzene
CID 67729736
1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene
CID 59265617

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene?
The IUPAC name of 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene (CID 57265159) is 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene.
What is the SMILES notation for 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene?
The canonical SMILES for 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene is CCCCCCCCOc1ccc(C2CCC(CC)CC2)cc1F.
What is the InChIKey of 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene?
The InChIKey is XSGHTWNBANPKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FO/c1-3-5-6-7-8-9-16-24-22-15-14-20(17-21(22)23)19-12-10-18(4-2)11-13-19/h14-15,17-19H,3-13,16H2,1-2H3.
What are the key properties of 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene?
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene has a molecular weight of 334.52 g/mol, XLogP of 7.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene is sourced from PubChem (CID 57265159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).