2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol

C18H25FO — CID 60794928

IUPAC2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol
SMILESOC1(c2cccc(F)c2)CCCCC1C1CCCCC1
InChIInChI=1S/C18H25FO/c19-16-10-6-9-15(13-16)18(20)12-5-4-11-17(18)14-7-2-1-3-8-14/h6,9-10,13-14,17,20H,1-5,7-8,11-12H2
InChIKeyTXKFHOCBGLZJDY-UHFFFAOYSA-N
MW276.39 g/mol
LogP4.78
Rot. Bonds2

About 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol

2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol (PubChem CID 60794928) has the molecular formula C18H25FO and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol
PubChem CID60794928
Molecular FormulaC18H25FO
Molecular Weight276.39 g/mol
Exact Mass276.19
IUPAC Name2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol
SMILESOC1(c2cccc(F)c2)CCCCC1C1CCCCC1
InChIInChI=1S/C18H25FO/c19-16-10-6-9-15(13-16)18(20)12-5-4-11-17(18)14-7-2-1-3-8-14/h6,9-10,13-14,17,20H,1-5,7-8,11-12H2
InChIKeyTXKFHOCBGLZJDY-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol (CID 60794928) is 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol is OC1(c2cccc(F)c2)CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol?
The InChIKey is TXKFHOCBGLZJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO/c19-16-10-6-9-15(13-16)18(20)12-5-4-11-17(18)14-7-2-1-3-8-14/h6,9-10,13-14,17,20H,1-5,7-8,11-12H2.
What are the key properties of 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol?
2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol has a molecular weight of 276.39 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 60794928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).