4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol

C18H24F4O2 — CID 141298262

IUPAC4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol
SMILESCCCCCC1CCC(C(F)(F)Oc2ccc(O)c(F)c2F)CC1
InChIInChI=1S/C18H24F4O2/c1-2-3-4-5-12-6-8-13(9-7-12)18(21,22)24-15-11-10-14(23)16(19)17(15)20/h10-13,23H,2-9H2,1H3
InChIKeyXPHFUEBVWWVFNS-UHFFFAOYSA-N
MW348.38 g/mol
LogP6.03
Rot. Bonds7

About 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol

4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol (PubChem CID 141298262) has the molecular formula C18H24F4O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol
PubChem CID141298262
Molecular FormulaC18H24F4O2
Molecular Weight348.38 g/mol
Exact Mass348.17
IUPAC Name4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol
SMILESCCCCCC1CCC(C(F)(F)Oc2ccc(O)c(F)c2F)CC1
InChIInChI=1S/C18H24F4O2/c1-2-3-4-5-12-6-8-13(9-7-12)18(21,22)24-15-11-10-14(23)16(19)17(15)20/h10-13,23H,2-9H2,1H3
InChIKeyXPHFUEBVWWVFNS-UHFFFAOYSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 56.03
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

1-[difluoro-(4-pentylcyclohexyl)methoxy]-4-[7-[1-[7-[4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenoxy]heptoxy]-2,2,2-trifluoroethoxy]heptoxy]-2,3-difluorobenzene
CID 122542722
7-[difluoro-(4-pentylcyclohexyl)methoxy]-1,2,8-trifluoro-3-methylbiphenylene
CID 134465107
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene
CID 21353205
1-[difluoro-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]methoxy]-4-fluorobenzene
CID 122502006
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-(4-pentylcyclohexyl)-2,3-bis(trifluoromethyl)benzene
CID 20750894
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 134477175
1-[difluoro(methoxy)methyl]-4-pentylcyclohexane
CID 20705628
[4-(4-decylcyclohexanecarbonyl)oxy-2,3-difluorophenyl] 4-decylcyclohexane-1-carboxylate
CID 19792982
[2,3-difluoro-4-(4-nonylcyclohexanecarbonyl)oxyphenyl] 4-nonylcyclohexane-1-carboxylate
CID 19793037
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
5-[4-[[4-[difluoro-(4-pentylcyclohexyl)methoxy]phenyl]-difluoromethoxy]phenyl]-1,2,3-trifluorobenzene
CID 89280470

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol?
The IUPAC name of 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol (CID 141298262) is 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol.
What is the SMILES notation for 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol?
The canonical SMILES for 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol is CCCCCC1CCC(C(F)(F)Oc2ccc(O)c(F)c2F)CC1.
What is the InChIKey of 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol?
The InChIKey is XPHFUEBVWWVFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4O2/c1-2-3-4-5-12-6-8-13(9-7-12)18(21,22)24-15-11-10-14(23)16(19)17(15)20/h10-13,23H,2-9H2,1H3.
What are the key properties of 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol?
4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol has a molecular weight of 348.38 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol is sourced from PubChem (CID 141298262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).