2,3,7-trimethyl-8-octoxydibenzofuran

C23H30O2 — CID 59156344

IUPAC2,3,7-trimethyl-8-octoxydibenzofuran
SMILESCCCCCCCCOc1cc2c(cc1C)oc1cc(C)c(C)cc12
InChIInChI=1S/C23H30O2/c1-5-6-7-8-9-10-11-24-21-15-20-19-12-16(2)17(3)13-22(19)25-23(20)14-18(21)4/h12-15H,5-11H2,1-4H3
InChIKeyGOCZOVMTHMUBLE-UHFFFAOYSA-N
MW338.49 g/mol
LogP7.25
Rot. Bonds8

About 2,3,7-trimethyl-8-octoxydibenzofuran

2,3,7-trimethyl-8-octoxydibenzofuran (PubChem CID 59156344) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2,3,7-trimethyl-8-octoxydibenzofuran.

Molecular Properties

Compound Name2,3,7-trimethyl-8-octoxydibenzofuran
PubChem CID59156344
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name2,3,7-trimethyl-8-octoxydibenzofuran
SMILESCCCCCCCCOc1cc2c(cc1C)oc1cc(C)c(C)cc12
InChIInChI=1S/C23H30O2/c1-5-6-7-8-9-10-11-24-21-15-20-19-12-16(2)17(3)13-22(19)25-23(20)14-18(21)4/h12-15H,5-11H2,1-4H3
InChIKeyGOCZOVMTHMUBLE-UHFFFAOYSA-N
XLogP7.25
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
3,7-dimethyl-2,8-dioctoxydibenzofuran;bis([2-(2-diphenylphosphaniumylphenyl)phenyl]-diphenylphosphanium);palladium
CID 159402027
2,3,6,7,10-pentahexoxy-11-[7-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyheptoxy]triphenylene
CID 100981967
2-dodecoxy-3,6,7,10,11-pentahexoxytriphenylene
CID 86225228
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
2,3,6,7,10-pentahexoxy-11-[3-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypropoxy]triphenylene
CID 100981965
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
7,17-dihexoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 102053272
2,8-bis(4-butylphenoxy)-3,7-dimethyldibenzofuran;2,8-bis(decylsulfanyl)-3,7-dimethyldibenzofuran;2,8-didecoxy-3,7-dimethyldibenzofuran;2,8-didecyl-3,7-dimethyldibenzofuran;3,7-dimethyl-2,8-bis(octylsulfanyl)dibenzofuran;3,7-dimethyl-2,8-bis(pentylsulfanyl)dibenzofuran;3,7-dimethyl-2,8-dioctoxydibenzofuran;3,7-dimethyl-2,8-dioctyldibenzofuran;3,7-dimethyl-2,8-dipentoxydibenzofuran;3,7-dimethyl-2,8-dipentyldibenzofuran
CID 159384375
2,8-bis(4-butylphenoxy)-3,7-dimethyldibenzofuran;2-methoxy-3,7,8-trimethyldibenzofuran
CID 123191732
1,2,4,5-tetrakis-decoxybenzene
CID 10556791

Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyl-8-octoxydibenzofuran?
The IUPAC name of 2,3,7-trimethyl-8-octoxydibenzofuran (CID 59156344) is 2,3,7-trimethyl-8-octoxydibenzofuran.
What is the SMILES notation for 2,3,7-trimethyl-8-octoxydibenzofuran?
The canonical SMILES for 2,3,7-trimethyl-8-octoxydibenzofuran is CCCCCCCCOc1cc2c(cc1C)oc1cc(C)c(C)cc12.
What is the InChIKey of 2,3,7-trimethyl-8-octoxydibenzofuran?
The InChIKey is GOCZOVMTHMUBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-5-6-7-8-9-10-11-24-21-15-20-19-12-16(2)17(3)13-22(19)25-23(20)14-18(21)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 2,3,7-trimethyl-8-octoxydibenzofuran?
2,3,7-trimethyl-8-octoxydibenzofuran has a molecular weight of 338.49 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyl-8-octoxydibenzofuran is sourced from PubChem (CID 59156344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).