2-cyclohexyldibenzofuran

C18H18O — CID 163628573

IUPAC2-cyclohexyldibenzofuran
SMILESc1ccc2c(c1)oc1ccc(C3CCCCC3)cc12
InChIInChI=1S/C18H18O/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2
InChIKeyHUCMICBGENQTKR-UHFFFAOYSA-N
MW250.34 g/mol
LogP5.63
Rot. Bonds1

About 2-cyclohexyldibenzofuran

2-cyclohexyldibenzofuran (PubChem CID 163628573) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclohexyldibenzofuran.

Molecular Properties

Compound Name2-cyclohexyldibenzofuran
PubChem CID163628573
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-cyclohexyldibenzofuran
SMILESc1ccc2c(c1)oc1ccc(C3CCCCC3)cc12
InChIInChI=1S/C18H18O/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2
InChIKeyHUCMICBGENQTKR-UHFFFAOYSA-N
XLogP5.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyldibenzofuran?
The IUPAC name of 2-cyclohexyldibenzofuran (CID 163628573) is 2-cyclohexyldibenzofuran.
What is the SMILES notation for 2-cyclohexyldibenzofuran?
The canonical SMILES for 2-cyclohexyldibenzofuran is c1ccc2c(c1)oc1ccc(C3CCCCC3)cc12.
What is the InChIKey of 2-cyclohexyldibenzofuran?
The InChIKey is HUCMICBGENQTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2.
What are the key properties of 2-cyclohexyldibenzofuran?
2-cyclohexyldibenzofuran has a molecular weight of 250.34 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyldibenzofuran is sourced from PubChem (CID 163628573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).