4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol

C22H35FO — CID 70485947

IUPAC4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol
SMILESCCCCC1CCC(C(CC)CC(F)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C22H35FO/c1-3-5-6-17-7-11-20(12-8-17)19(4-2)16-21(23)15-18-9-13-22(24)14-10-18/h9-10,13-14,17,19-21,24H,3-8,11-12,15-16H2,1-2H3
InChIKeyDCVSSZGDYOYBTN-UHFFFAOYSA-N
MW334.52 g/mol
LogP6.69
Rot. Bonds9

About 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol

4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol (PubChem CID 70485947) has the molecular formula C22H35FO and a molecular weight of 334.52 g/mol. Its IUPAC name is 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol.

Molecular Properties

Compound Name4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol
PubChem CID70485947
Molecular FormulaC22H35FO
Molecular Weight334.52 g/mol
Exact Mass334.27
IUPAC Name4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol
SMILESCCCCC1CCC(C(CC)CC(F)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C22H35FO/c1-3-5-6-17-7-11-20(12-8-17)19(4-2)16-21(23)15-18-9-13-22(24)14-10-18/h9-10,13-14,17,19-21,24H,3-8,11-12,15-16H2,1-2H3
InChIKeyDCVSSZGDYOYBTN-UHFFFAOYSA-N
XLogP6.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.52
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol
CID 70485915
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
CID 57234635
1-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-4-(4-pentylcyclohexyl)benzene
CID 18605267
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
CID 19846809
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
[2-(4-butylcyclohexyl)-2-chloroethyl]benzene
CID 63544761
1-[2-(4-butylcyclohexyl)propyl]-4-ethoxybenzene
CID 139691896
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665
1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
CID 19846789
4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
CID 78943354

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol?
The IUPAC name of 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol (CID 70485947) is 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol.
What is the SMILES notation for 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol?
The canonical SMILES for 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol is CCCCC1CCC(C(CC)CC(F)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol?
The InChIKey is DCVSSZGDYOYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FO/c1-3-5-6-17-7-11-20(12-8-17)19(4-2)16-21(23)15-18-9-13-22(24)14-10-18/h9-10,13-14,17,19-21,24H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol?
4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol has a molecular weight of 334.52 g/mol, XLogP of 6.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol is sourced from PubChem (CID 70485947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).