4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol

C20H28F2O — CID 165344858

IUPAC4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
SMILESCCC1CCC(C2CCC(c3cc(F)c(O)c(F)c3)CC2)CC1
InChIInChI=1S/C20H28F2O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16,23H,2-10H2,1H3
InChIKeyZZZSPMPTDBKENQ-UHFFFAOYSA-N
MW322.44 g/mol
LogP6.16
Rot. Bonds3

About 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol

4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol (PubChem CID 165344858) has the molecular formula C20H28F2O and a molecular weight of 322.44 g/mol. Its IUPAC name is 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
PubChem CID165344858
Molecular FormulaC20H28F2O
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
SMILESCCC1CCC(C2CCC(c3cc(F)c(O)c(F)c3)CC2)CC1
InChIInChI=1S/C20H28F2O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16,23H,2-10H2,1H3
InChIKeyZZZSPMPTDBKENQ-UHFFFAOYSA-N
XLogP6.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol
CID 139850031
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-[2-[2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenyl]ethoxy]ethyl]-1,3-difluorobenzene
CID 140976229
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-[3-[3-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenyl]propoxy]propyl]-1,3-difluorobenzene
CID 140976214
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905
4-[2,6-difluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]-2,6-difluorophenol
CID 20663575
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
4-cyclooctyl-2,6-difluorophenol
CID 151133055

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol?
The IUPAC name of 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol (CID 165344858) is 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol?
The canonical SMILES for 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol is CCC1CCC(C2CCC(c3cc(F)c(O)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol?
The InChIKey is ZZZSPMPTDBKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16,23H,2-10H2,1H3.
What are the key properties of 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol?
4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol has a molecular weight of 322.44 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol is sourced from PubChem (CID 165344858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).