3,6-dimethyldibenzofuran;ethane

C16H18O — CID 142097287

IUPAC3,6-dimethyldibenzofuran;ethane
SMILESCC.Cc1ccc2c(c1)oc1c(C)cccc12
InChIInChI=1S/C14H12O.C2H6/c1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-2/h3-8H,1-2H3;1-2H3
InChIKeyRWORRWPWFKKATC-UHFFFAOYSA-N
MW226.32 g/mol
LogP5.23
Rot. Bonds

About 3,6-dimethyldibenzofuran;ethane

3,6-dimethyldibenzofuran;ethane (PubChem CID 142097287) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3,6-dimethyldibenzofuran;ethane.

Molecular Properties

Compound Name3,6-dimethyldibenzofuran;ethane
PubChem CID142097287
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name3,6-dimethyldibenzofuran;ethane
SMILESCC.Cc1ccc2c(c1)oc1c(C)cccc12
InChIInChI=1S/C14H12O.C2H6/c1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-2/h3-8H,1-2H3;1-2H3
InChIKeyRWORRWPWFKKATC-UHFFFAOYSA-N
XLogP5.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.32
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
9-methylphenanthro[1,2-b][1]benzofuran
CID 158951107
2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
CID 159327549
3-methyl-6-nitrodibenzofuran
CID 129136915
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole
CID 160915463
1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran
CID 158698987
3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
CID 166921667
1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene
CID 158098626
2-benzyl-6-methyldibenzofuran
CID 155004540

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyldibenzofuran;ethane?
The IUPAC name of 3,6-dimethyldibenzofuran;ethane (CID 142097287) is 3,6-dimethyldibenzofuran;ethane.
What is the SMILES notation for 3,6-dimethyldibenzofuran;ethane?
The canonical SMILES for 3,6-dimethyldibenzofuran;ethane is CC.Cc1ccc2c(c1)oc1c(C)cccc12.
What is the InChIKey of 3,6-dimethyldibenzofuran;ethane?
The InChIKey is RWORRWPWFKKATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C2H6/c1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 3,6-dimethyldibenzofuran;ethane?
3,6-dimethyldibenzofuran;ethane has a molecular weight of 226.32 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyldibenzofuran;ethane is sourced from PubChem (CID 142097287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).