2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol

C19H26F2O — CID 71101076

IUPAC2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
SMILESCC1CCC(C2CCC(c3cc(F)c(O)c(F)c3)CC2)CC1
InChIInChI=1S/C19H26F2O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16/h10-15,22H,2-9H2,1H3
InChIKeyMYZLRUMNIQLUHH-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.77
Rot. Bonds2

About 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol

2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol (PubChem CID 71101076) has the molecular formula C19H26F2O and a molecular weight of 308.41 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
PubChem CID71101076
Molecular FormulaC19H26F2O
Molecular Weight308.41 g/mol
Exact Mass308.20
IUPAC Name2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
SMILESCC1CCC(C2CCC(c3cc(F)c(O)c(F)c3)CC2)CC1
InChIInChI=1S/C19H26F2O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16/h10-15,22H,2-9H2,1H3
InChIKeyMYZLRUMNIQLUHH-UHFFFAOYSA-N
XLogP5.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol (CID 71101076) is 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol is CC1CCC(C2CCC(c3cc(F)c(O)c(F)c3)CC2)CC1.
What is the InChIKey of 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol?
The InChIKey is MYZLRUMNIQLUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16/h10-15,22H,2-9H2,1H3.
What are the key properties of 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol?
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol has a molecular weight of 308.41 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol is sourced from PubChem (CID 71101076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).