4-cyclohexyl-5-fluorobenzene-1,2-diol

C12H15FO2 — CID 90391034

IUPAC4-cyclohexyl-5-fluorobenzene-1,2-diol
SMILESOc1cc(F)c(C2CCCCC2)cc1O
InChIInChI=1S/C12H15FO2/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h6-8,14-15H,1-5H2
InChIKeyQMOAICZKCQKOSU-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.28
Rot. Bonds1

About 4-cyclohexyl-5-fluorobenzene-1,2-diol

4-cyclohexyl-5-fluorobenzene-1,2-diol (PubChem CID 90391034) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-cyclohexyl-5-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name4-cyclohexyl-5-fluorobenzene-1,2-diol
PubChem CID90391034
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name4-cyclohexyl-5-fluorobenzene-1,2-diol
SMILESOc1cc(F)c(C2CCCCC2)cc1O
InChIInChI=1S/C12H15FO2/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h6-8,14-15H,1-5H2
InChIKeyQMOAICZKCQKOSU-UHFFFAOYSA-N
XLogP3.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-fluorobenzene-1,2-diol?
The IUPAC name of 4-cyclohexyl-5-fluorobenzene-1,2-diol (CID 90391034) is 4-cyclohexyl-5-fluorobenzene-1,2-diol.
What is the SMILES notation for 4-cyclohexyl-5-fluorobenzene-1,2-diol?
The canonical SMILES for 4-cyclohexyl-5-fluorobenzene-1,2-diol is Oc1cc(F)c(C2CCCCC2)cc1O.
What is the InChIKey of 4-cyclohexyl-5-fluorobenzene-1,2-diol?
The InChIKey is QMOAICZKCQKOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h6-8,14-15H,1-5H2.
What are the key properties of 4-cyclohexyl-5-fluorobenzene-1,2-diol?
4-cyclohexyl-5-fluorobenzene-1,2-diol has a molecular weight of 210.25 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-fluorobenzene-1,2-diol is sourced from PubChem (CID 90391034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).