4,6-dideuterio-2-methyl-3-phenyldibenzofuran

C19H14O — CID 172513284

IUPAC4,6-dideuterio-2-methyl-3-phenyldibenzofuran
SMILES[2H]c1cccc2c1oc1c([2H])c(-c3ccccc3)c(C)cc12
InChIInChI=1S/C19H14O/c1-13-11-17-15-9-5-6-10-18(15)20-19(17)12-16(13)14-7-3-2-4-8-14/h2-12H,1H3/i10D,12D
InChIKeyUXZQDWUSWAIBAU-SQSURYJASA-N
MW260.33 g/mol
LogP5.56
Rot. Bonds1

About 4,6-dideuterio-2-methyl-3-phenyldibenzofuran

4,6-dideuterio-2-methyl-3-phenyldibenzofuran (PubChem CID 172513284) has the molecular formula C19H14O and a molecular weight of 260.33 g/mol. Its IUPAC name is 4,6-dideuterio-2-methyl-3-phenyldibenzofuran.

Molecular Properties

Compound Name4,6-dideuterio-2-methyl-3-phenyldibenzofuran
PubChem CID172513284
Molecular FormulaC19H14O
Molecular Weight260.33 g/mol
Exact Mass260.12
IUPAC Name4,6-dideuterio-2-methyl-3-phenyldibenzofuran
SMILES[2H]c1cccc2c1oc1c([2H])c(-c3ccccc3)c(C)cc12
InChIInChI=1S/C19H14O/c1-13-11-17-15-9-5-6-10-18(15)20-19(17)12-16(13)14-7-3-2-4-8-14/h2-12H,1H3/i10D,12D
InChIKeyUXZQDWUSWAIBAU-SQSURYJASA-N
XLogP5.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.33
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dideuterio-3-methyl-1-phenyldibenzofuran
CID 172513333
2,3-diphenyldibenzofuran
CID 12699263
1,2,3,4,6,9-hexadeuterio-8-phenyl-7-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663477
2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170654038
2-chloro-3-phenyldibenzofuran
CID 166918311
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 153436479
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523
1,2,3,4,6,8,9-heptadeuterio-7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170662504
N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 138488713
2-[4-(4-methylnaphthalen-1-yl)phenyl]dibenzofuran
CID 67964760
2-(2-methylphenyl)dibenzofuran
CID 118188503
1,2,3,4,6,8,9-heptadeuterio-7-[2,4,5,6,7,8-hexadeuterio-3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 166587485

Frequently Asked Questions

What is the IUPAC name of 4,6-dideuterio-2-methyl-3-phenyldibenzofuran?
The IUPAC name of 4,6-dideuterio-2-methyl-3-phenyldibenzofuran (CID 172513284) is 4,6-dideuterio-2-methyl-3-phenyldibenzofuran.
What is the SMILES notation for 4,6-dideuterio-2-methyl-3-phenyldibenzofuran?
The canonical SMILES for 4,6-dideuterio-2-methyl-3-phenyldibenzofuran is [2H]c1cccc2c1oc1c([2H])c(-c3ccccc3)c(C)cc12.
What is the InChIKey of 4,6-dideuterio-2-methyl-3-phenyldibenzofuran?
The InChIKey is UXZQDWUSWAIBAU-SQSURYJASA-N. The full InChI is InChI=1S/C19H14O/c1-13-11-17-15-9-5-6-10-18(15)20-19(17)12-16(13)14-7-3-2-4-8-14/h2-12H,1H3/i10D,12D.
What are the key properties of 4,6-dideuterio-2-methyl-3-phenyldibenzofuran?
4,6-dideuterio-2-methyl-3-phenyldibenzofuran has a molecular weight of 260.33 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dideuterio-2-methyl-3-phenyldibenzofuran is sourced from PubChem (CID 172513284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).