3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran

C15H14O — CID 167687599

IUPAC3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran
SMILES[2H]C([2H])([2H])c1cc(C)c(C)c2oc3ccccc3c12
InChIInChI=1S/C15H14O/c1-9-8-10(2)14-12-6-4-5-7-13(12)16-15(14)11(9)3/h4-8H,1-3H3/i2D3
InChIKeyNEEVKAUYZMLDNI-BMSJAHLVSA-N
MW213.29 g/mol
LogP4.51
Rot. Bonds1

About 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran

3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran (PubChem CID 167687599) has the molecular formula C15H14O and a molecular weight of 213.29 g/mol. Its IUPAC name is 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran.

Molecular Properties

Compound Name3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran
PubChem CID167687599
Molecular FormulaC15H14O
Molecular Weight213.29 g/mol
Exact Mass213.12
IUPAC Name3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran
SMILES[2H]C([2H])([2H])c1cc(C)c(C)c2oc3ccccc3c12
InChIInChI=1S/C15H14O/c1-9-8-10(2)14-12-6-4-5-7-13(12)16-15(14)11(9)3/h4-8H,1-3H3/i2D3
InChIKeyNEEVKAUYZMLDNI-BMSJAHLVSA-N
XLogP4.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-[3-methyl-1-(trideuteriomethyl)dibenzofuran-4-yl]pyridin-1-ium
CID 159292455
1,3-dimethoxy-4-methyldibenzofuran
CID 86106843
1-methyl-2-[7-methyl-5-(trideuteriomethyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl]pyridin-1-ium
CID 153418131
3-methyldibenzofuran-1,4-diamine
CID 68822096
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
1-methylfuro[2,3-b][1]benzofuran-2-amine
CID 130322179
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
7-tert-butyl-6-methyl-4-(trideuteriomethyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 153286283
1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran?
The IUPAC name of 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran (CID 167687599) is 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran.
What is the SMILES notation for 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran?
The canonical SMILES for 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran is [2H]C([2H])([2H])c1cc(C)c(C)c2oc3ccccc3c12.
What is the InChIKey of 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran?
The InChIKey is NEEVKAUYZMLDNI-BMSJAHLVSA-N. The full InChI is InChI=1S/C15H14O/c1-9-8-10(2)14-12-6-4-5-7-13(12)16-15(14)11(9)3/h4-8H,1-3H3/i2D3.
What are the key properties of 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran?
3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran has a molecular weight of 213.29 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran is sourced from PubChem (CID 167687599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).