4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol

C26H34F2O2 — CID 121323745

IUPAC4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol
SMILESCCCCCC1CCC(c2ccc(C(F)(F)Oc3cc(C)c(O)c(C)c3)cc2)CC1
InChIInChI=1S/C26H34F2O2/c1-4-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)26(27,28)30-24-16-18(2)25(29)19(3)17-24/h12-17,20-21,29H,4-11H2,1-3H3
InChIKeyJAPGMKVWYULXEK-UHFFFAOYSA-N
MW416.55 g/mol
LogP7.99
Rot. Bonds8

About 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol

4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol (PubChem CID 121323745) has the molecular formula C26H34F2O2 and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol
PubChem CID121323745
Molecular FormulaC26H34F2O2
Molecular Weight416.55 g/mol
Exact Mass416.25
IUPAC Name4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol
SMILESCCCCCC1CCC(c2ccc(C(F)(F)Oc3cc(C)c(O)c(C)c3)cc2)CC1
InChIInChI=1S/C26H34F2O2/c1-4-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)26(27,28)30-24-16-18(2)25(29)19(3)17-24/h12-17,20-21,29H,4-11H2,1-3H3
InChIKeyJAPGMKVWYULXEK-UHFFFAOYSA-N
XLogP7.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2-ethyl-6-methylphenol
CID 121323756
4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2-ethyl-6-propan-2-ylphenol
CID 121323753
5-[[4-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 70173191
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
5-[difluoro-[4-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 59328444
1-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-4-ethyl-2,3-difluorobenzene
CID 20705608
4-[difluoro-[4-(4-pentylcyclohexyl)phenoxy]methyl]-2,6-difluorobenzonitrile
CID 139812818
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
4-[[4-(4-butylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethyl)benzene;4-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-2-fluoro-1-(trifluoromethyl)benzene;methane
CID 160811694
5-[2-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]phenyl]-1,2,3-trifluorobenzene
CID 22883418
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol?
The IUPAC name of 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol (CID 121323745) is 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol.
What is the SMILES notation for 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol?
The canonical SMILES for 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol is CCCCCC1CCC(c2ccc(C(F)(F)Oc3cc(C)c(O)c(C)c3)cc2)CC1.
What is the InChIKey of 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol?
The InChIKey is JAPGMKVWYULXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2O2/c1-4-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)26(27,28)30-24-16-18(2)25(29)19(3)17-24/h12-17,20-21,29H,4-11H2,1-3H3.
What are the key properties of 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol?
4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol has a molecular weight of 416.55 g/mol, XLogP of 7.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol is sourced from PubChem (CID 121323745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).