3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran

C19H14O2 — CID 165032296

IUPAC3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c(OC)ccc3c2oc2ccccc23)c([2H])c1[2H]
InChIInChI=1S/C19H14O2/c1-20-17-12-11-15-14-9-5-6-10-16(14)21-19(15)18(17)13-7-3-2-4-8-13/h2-12H,1H3/i2D,3D,4D,7D,8D
InChIKeyOPQCIVKQHDAFRQ-ATTUOBAHSA-N
MW279.35 g/mol
LogP5.26
Rot. Bonds2

About 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran

3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (PubChem CID 165032296) has the molecular formula C19H14O2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.

Molecular Properties

Compound Name3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
PubChem CID165032296
Molecular FormulaC19H14O2
Molecular Weight279.35 g/mol
Exact Mass279.13
IUPAC Name3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c(OC)ccc3c2oc2ccccc23)c([2H])c1[2H]
InChIInChI=1S/C19H14O2/c1-20-17-12-11-15-14-9-5-6-10-16(14)21-19(15)18(17)13-7-3-2-4-8-13/h2-12H,1H3/i2D,3D,4D,7D,8D
InChIKeyOPQCIVKQHDAFRQ-ATTUOBAHSA-N
XLogP5.26
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.35
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 164960653
4-[2-deuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 166587503
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745899
3-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-4-phenyldibenzofuran
CID 170662489
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[6,5-b][1]benzofuran
CID 176745693
1,3,4-trideuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 176786237
4-(5-chloro-2-methoxyphenyl)-3-fluorodibenzofuran
CID 135171555
2-dibenzofuran-4-yl-1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 140831499
7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 176751785
2-[2,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 170653989
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 167406502
6-(2,3,4,5,6-pentadeuteriophenyl)-3-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662888

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The IUPAC name of 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (CID 165032296) is 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.
What is the SMILES notation for 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The canonical SMILES for 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c(OC)ccc3c2oc2ccccc23)c([2H])c1[2H].
What is the InChIKey of 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The InChIKey is OPQCIVKQHDAFRQ-ATTUOBAHSA-N. The full InChI is InChI=1S/C19H14O2/c1-20-17-12-11-15-14-9-5-6-10-16(14)21-19(15)18(17)13-7-3-2-4-8-13/h2-12H,1H3/i2D,3D,4D,7D,8D.
What are the key properties of 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran has a molecular weight of 279.35 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is sourced from PubChem (CID 165032296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).