3-(4-methylcyclohexyl)dibenzofuran

C19H20O — CID 134344600

IUPAC3-(4-methylcyclohexyl)dibenzofuran
SMILESCC1CCC(c2ccc3c(c2)oc2ccccc23)CC1
InChIInChI=1S/C19H20O/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20-19(17)12-15/h2-5,10-14H,6-9H2,1H3
InChIKeyIJVDXUKCIXYHNY-UHFFFAOYSA-N
MW264.37 g/mol
LogP5.88
Rot. Bonds1

About 3-(4-methylcyclohexyl)dibenzofuran

3-(4-methylcyclohexyl)dibenzofuran (PubChem CID 134344600) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)dibenzofuran.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)dibenzofuran
PubChem CID134344600
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name3-(4-methylcyclohexyl)dibenzofuran
SMILESCC1CCC(c2ccc3c(c2)oc2ccccc23)CC1
InChIInChI=1S/C19H20O/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20-19(17)12-15/h2-5,10-14H,6-9H2,1H3
InChIKeyIJVDXUKCIXYHNY-UHFFFAOYSA-N
XLogP5.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyldibenzofuran
CID 163628573
6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153185
dibenzofuran;hydrofluoride
CID 158307405
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
CID 167498753
3-amino-7-(4-methylcyclohexyl)chromen-2-one
CID 121320510
dibenzofuran;hydrate
CID 70610865
19-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene
CID 163622526
9,9-dimethyl-2-(4-methylcyclohexyl)fluorene
CID 157150008
cyclopropyl(dibenzofuran-3-yl)methanol
CID 114238745
3-ethyldibenzofuran
CID 58510747
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)dibenzofuran?
The IUPAC name of 3-(4-methylcyclohexyl)dibenzofuran (CID 134344600) is 3-(4-methylcyclohexyl)dibenzofuran.
What is the SMILES notation for 3-(4-methylcyclohexyl)dibenzofuran?
The canonical SMILES for 3-(4-methylcyclohexyl)dibenzofuran is CC1CCC(c2ccc3c(c2)oc2ccccc23)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)dibenzofuran?
The InChIKey is IJVDXUKCIXYHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20-19(17)12-15/h2-5,10-14H,6-9H2,1H3.
What are the key properties of 3-(4-methylcyclohexyl)dibenzofuran?
3-(4-methylcyclohexyl)dibenzofuran has a molecular weight of 264.37 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)dibenzofuran is sourced from PubChem (CID 134344600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).