4-(1-deuteriocyclohexyl)dibenzofuran

C18H18O — CID 157279405

IUPAC4-(1-deuteriocyclohexyl)dibenzofuran
SMILES[2H]C1(c2cccc3c2oc2ccccc23)CCCCC1
InChIInChI=1S/C18H18O/c1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h4-6,9-13H,1-3,7-8H2/i13D
InChIKeyNRNYMDSTYLRSEB-YSOHJTORSA-N
MW251.35 g/mol
LogP5.63
Rot. Bonds1

About 4-(1-deuteriocyclohexyl)dibenzofuran

4-(1-deuteriocyclohexyl)dibenzofuran (PubChem CID 157279405) has the molecular formula C18H18O and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(1-deuteriocyclohexyl)dibenzofuran.

Molecular Properties

Compound Name4-(1-deuteriocyclohexyl)dibenzofuran
PubChem CID157279405
Molecular FormulaC18H18O
Molecular Weight251.35 g/mol
Exact Mass251.14
IUPAC Name4-(1-deuteriocyclohexyl)dibenzofuran
SMILES[2H]C1(c2cccc3c2oc2ccccc23)CCCCC1
InChIInChI=1S/C18H18O/c1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h4-6,9-13H,1-3,7-8H2/i13D
InChIKeyNRNYMDSTYLRSEB-YSOHJTORSA-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 ≤ 500251.35
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541694
4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321
2-dibenzofuran-4-yl-2H-pyrrole
CID 71047554
5-dibenzofuran-4-yl-4-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13-hexaene
CID 176845056
5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole
CID 155017050
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 140920872
6-N,11-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,11-N-bis(2-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262543
2-cyclohexyldibenzofuran
CID 163628573
1,1'-biphenyl;dibenzofuran-4-amine
CID 144554378
2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
CID 144831127
4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 146532214

Frequently Asked Questions

What is the IUPAC name of 4-(1-deuteriocyclohexyl)dibenzofuran?
The IUPAC name of 4-(1-deuteriocyclohexyl)dibenzofuran (CID 157279405) is 4-(1-deuteriocyclohexyl)dibenzofuran.
What is the SMILES notation for 4-(1-deuteriocyclohexyl)dibenzofuran?
The canonical SMILES for 4-(1-deuteriocyclohexyl)dibenzofuran is [2H]C1(c2cccc3c2oc2ccccc23)CCCCC1.
What is the InChIKey of 4-(1-deuteriocyclohexyl)dibenzofuran?
The InChIKey is NRNYMDSTYLRSEB-YSOHJTORSA-N. The full InChI is InChI=1S/C18H18O/c1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h4-6,9-13H,1-3,7-8H2/i13D.
What are the key properties of 4-(1-deuteriocyclohexyl)dibenzofuran?
4-(1-deuteriocyclohexyl)dibenzofuran has a molecular weight of 251.35 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 4-(1-deuteriocyclohexyl)dibenzofuran is sourced from PubChem (CID 157279405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).