4-cyclododecyl-2-fluorophenol

C18H27FO — CID 146306960

IUPAC4-cyclododecyl-2-fluorophenol
SMILESOc1ccc(C2CCCCCCCCCCC2)cc1F
InChIInChI=1S/C18H27FO/c19-17-14-16(12-13-18(17)20)15-10-8-6-4-2-1-3-5-7-9-11-15/h12-15,20H,1-11H2
InChIKeyOEIREKPOVMIKJS-UHFFFAOYSA-N
MW278.41 g/mol
LogP5.92
Rot. Bonds1

About 4-cyclododecyl-2-fluorophenol

4-cyclododecyl-2-fluorophenol (PubChem CID 146306960) has the molecular formula C18H27FO and a molecular weight of 278.41 g/mol. Its IUPAC name is 4-cyclododecyl-2-fluorophenol.

Molecular Properties

Compound Name4-cyclododecyl-2-fluorophenol
PubChem CID146306960
Molecular FormulaC18H27FO
Molecular Weight278.41 g/mol
Exact Mass278.20
IUPAC Name4-cyclododecyl-2-fluorophenol
SMILESOc1ccc(C2CCCCCCCCCCC2)cc1F
InChIInChI=1S/C18H27FO/c19-17-14-16(12-13-18(17)20)15-10-8-6-4-2-1-3-5-7-9-11-15/h12-15,20H,1-11H2
InChIKeyOEIREKPOVMIKJS-UHFFFAOYSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.41
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82606236
4-cyclooctyl-2,6-difluorophenol
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4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol
CID 165388703
2-bromo-4-cyclohexylphenol
CID 519121
2,5-di(cyclononyl)phenol
CID 57426125
4-cyclohexyl-2-methylphenol;2,4-dimethylphenol
CID 144772724
2-bromo-4-cyclobutylphenol
CID 162421229
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
4-cyclohexyl-2,6-difluoroaniline
CID 125450024
4-(1,3-dioxolan-2-yl)-2-fluorophenol
CID 18443673

Frequently Asked Questions

What is the IUPAC name of 4-cyclododecyl-2-fluorophenol?
The IUPAC name of 4-cyclododecyl-2-fluorophenol (CID 146306960) is 4-cyclododecyl-2-fluorophenol.
What is the SMILES notation for 4-cyclododecyl-2-fluorophenol?
The canonical SMILES for 4-cyclododecyl-2-fluorophenol is Oc1ccc(C2CCCCCCCCCCC2)cc1F.
What is the InChIKey of 4-cyclododecyl-2-fluorophenol?
The InChIKey is OEIREKPOVMIKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FO/c19-17-14-16(12-13-18(17)20)15-10-8-6-4-2-1-3-5-7-9-11-15/h12-15,20H,1-11H2.
What are the key properties of 4-cyclododecyl-2-fluorophenol?
4-cyclododecyl-2-fluorophenol has a molecular weight of 278.41 g/mol, XLogP of 5.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclododecyl-2-fluorophenol is sourced from PubChem (CID 146306960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).