2-(2-chlorophenyl)-7-deuteriodibenzofuran

C18H11ClO — CID 171449495

IUPAC2-(2-chlorophenyl)-7-deuteriodibenzofuran
SMILES[2H]c1ccc2c(c1)oc1ccc(-c3ccccc3Cl)cc12
InChIInChI=1S/C18H11ClO/c19-16-7-3-1-5-13(16)12-9-10-18-15(11-12)14-6-2-4-8-17(14)20-18/h1-11H/i4D
InChIKeyFTHKWURPSOEJRJ-QYKNYGDISA-N
MW279.74 g/mol
LogP5.91
Rot. Bonds1

About 2-(2-chlorophenyl)-7-deuteriodibenzofuran

2-(2-chlorophenyl)-7-deuteriodibenzofuran (PubChem CID 171449495) has the molecular formula C18H11ClO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-deuteriodibenzofuran.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-deuteriodibenzofuran
PubChem CID171449495
Molecular FormulaC18H11ClO
Molecular Weight279.74 g/mol
Exact Mass279.06
IUPAC Name2-(2-chlorophenyl)-7-deuteriodibenzofuran
SMILES[2H]c1ccc2c(c1)oc1ccc(-c3ccccc3Cl)cc12
InChIInChI=1S/C18H11ClO/c19-16-7-3-1-5-13(16)12-9-10-18-15(11-12)14-6-2-4-8-17(14)20-18/h1-11H/i4D
InChIKeyFTHKWURPSOEJRJ-QYKNYGDISA-N
XLogP5.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.74
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)dibenzofuran
CID 138667405
2-[2-(2-chlorophenyl)phenyl]-6-phenyldibenzofuran
CID 177177846
2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
CID 59282074
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 170521710
2-deuteriodibenzofuran
CID 90735776
2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 164737887
7-chloro-2-naphthalen-1-yldibenzofuran
CID 171597258
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
7-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449377
2-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)dibenzofuran
CID 177297853

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-deuteriodibenzofuran?
The IUPAC name of 2-(2-chlorophenyl)-7-deuteriodibenzofuran (CID 171449495) is 2-(2-chlorophenyl)-7-deuteriodibenzofuran.
What is the SMILES notation for 2-(2-chlorophenyl)-7-deuteriodibenzofuran?
The canonical SMILES for 2-(2-chlorophenyl)-7-deuteriodibenzofuran is [2H]c1ccc2c(c1)oc1ccc(-c3ccccc3Cl)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-7-deuteriodibenzofuran?
The InChIKey is FTHKWURPSOEJRJ-QYKNYGDISA-N. The full InChI is InChI=1S/C18H11ClO/c19-16-7-3-1-5-13(16)12-9-10-18-15(11-12)14-6-2-4-8-17(14)20-18/h1-11H/i4D.
What are the key properties of 2-(2-chlorophenyl)-7-deuteriodibenzofuran?
2-(2-chlorophenyl)-7-deuteriodibenzofuran has a molecular weight of 279.74 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-deuteriodibenzofuran is sourced from PubChem (CID 171449495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).