2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran

C116H104O8 — CID 159327549

IUPAC2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
SMILESCCc1ccc2c(c1)oc1cc(CC)ccc12.CCc1ccc2oc3ccc(CC)cc3c2c1.Cc1ccc2c(c1)oc1c(C)cccc12.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)oc1ccc(C)cc12.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1cccc2c1oc1cccc(C)c12
InChIInChI=1S/2C16H16O.6C14H12O/c1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15;1-3-11-5-7-13-14-8-6-12(4-2)10-16(14)17-15(13)9-11;1-9-5-4-8-12-13(9)11-7-3-6-10(2)14(11)15-12;1-9-4-6-13-12(7-9)11-5-3-10(2)8-14(11)15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13/h2*5-10H,3-4H2,1-2H3;6*3-8H,1-2H3
InChIKeyLEOAVIBIIDFSGQ-UHFFFAOYSA-N
MW1626.10 g/mol
LogP34.64
Rot. Bonds4

About 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran

2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran (PubChem CID 159327549) has the molecular formula C116H104O8 and a molecular weight of 1626.10 g/mol. Its IUPAC name is 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran.

Molecular Properties

Compound Name2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
PubChem CID159327549
Molecular FormulaC116H104O8
Molecular Weight1626.10 g/mol
Exact Mass1624.77
IUPAC Name2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
SMILESCCc1ccc2c(c1)oc1cc(CC)ccc12.CCc1ccc2oc3ccc(CC)cc3c2c1.Cc1ccc2c(c1)oc1c(C)cccc12.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)oc1ccc(C)cc12.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1cccc2c1oc1cccc(C)c12
InChIInChI=1S/2C16H16O.6C14H12O/c1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15;1-3-11-5-7-13-14-8-6-12(4-2)10-16(14)17-15(13)9-11;1-9-5-4-8-12-13(9)11-7-3-6-10(2)14(11)15-12;1-9-4-6-13-12(7-9)11-5-3-10(2)8-14(11)15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13/h2*5-10H,3-4H2,1-2H3;6*3-8H,1-2H3
InChIKeyLEOAVIBIIDFSGQ-UHFFFAOYSA-N
XLogP34.64
TPSA105.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001626.10
LogP ≤ 534.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran with MolForge

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Related Compounds

1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
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
3,6-dimethyldibenzofuran;ethane
CID 142097287
carbanide;6,18-diethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-diethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;ethane;6-ethyl-18-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;7-ethyl-16-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;hexadecakis(yttrium)
CID 161346794
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
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
3-ethyldibenzofuran
CID 58510747
2-benzyl-6-methyldibenzofuran
CID 155004540
1-methyl-4-phenyldibenzofuran;1-methyl-6-phenyldibenzofuran;2-(4-methylphenyl)dibenzofuran;2-methyl-4-phenyldibenzofuran;2-methyl-6-phenyldibenzofuran;3-methyl-4-phenyldibenzofuran;3-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzofuran
CID 158562834
1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene;1,3,5-trimethylbenzene
CID 159402641
1-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene
CID 159841875

Frequently Asked Questions

What is the IUPAC name of 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran?
The IUPAC name of 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) is 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran.
What is the SMILES notation for 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran?
The canonical SMILES for 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran is CCc1ccc2c(c1)oc1cc(CC)ccc12.CCc1ccc2oc3ccc(CC)cc3c2c1.Cc1ccc2c(c1)oc1c(C)cccc12.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)oc1ccc(C)cc12.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1cccc2c1oc1cccc(C)c12.
What is the InChIKey of 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran?
The InChIKey is LEOAVIBIIDFSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16O.6C14H12O/c1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15;1-3-11-5-7-13-14-8-6-12(4-2)10-16(14)17-15(13)9-11;1-9-5-4-8-12-13(9)11-7-3-6-10(2)14(11)15-12;1-9-4-6-13-12(7-9)11-5-3-10(2)8-14(11)15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13/h2*5-10H,3-4H2,1-2H3;6*3-8H,1-2H3.
What are the key properties of 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran?
2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran has a molecular weight of 1626.10 g/mol, XLogP of 34.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran is sourced from PubChem (CID 159327549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).