4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol

C17H24ClFO — CID 107883412

IUPAC4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C17H24ClFO/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13,20H,6-9,11H2,1-3H3
InChIKeyWUKDDUBEDICAJX-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.99
Rot. Bonds2

About 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol

4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 107883412) has the molecular formula C17H24ClFO and a molecular weight of 298.83 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID107883412
Molecular FormulaC17H24ClFO
Molecular Weight298.83 g/mol
Exact Mass298.15
IUPAC Name4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C17H24ClFO/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13,20H,6-9,11H2,1-3H3
InChIKeyWUKDDUBEDICAJX-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107889043
4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
CID 107883464
4-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 114012555
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
4-[(4-chloro-3-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 107883599
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol (CID 107883412) is 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol is CC(C)(C)C1CCC(O)(Cc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is WUKDDUBEDICAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13,20H,6-9,11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol?
4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 298.83 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107883412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).