9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran

C24H36O2 — CID 141162074

IUPAC9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran
SMILESCCCCCCC(C)(C)c1cc(OC)c2c3c(oc2c1)CCCC3(C)C
InChIInChI=1S/C24H36O2/c1-7-8-9-10-13-23(2,3)17-15-19(25-6)21-20(16-17)26-18-12-11-14-24(4,5)22(18)21/h15-16H,7-14H2,1-6H3
InChIKeyLFEPFDYMCOCXJB-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.30
Rot. Bonds7

About 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran

9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran (PubChem CID 141162074) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran.

Molecular Properties

Compound Name9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran
PubChem CID141162074
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran
SMILESCCCCCCC(C)(C)c1cc(OC)c2c3c(oc2c1)CCCC3(C)C
InChIInChI=1S/C24H36O2/c1-7-8-9-10-13-23(2,3)17-15-19(25-6)21-20(16-17)26-18-12-11-14-24(4,5)22(18)21/h15-16H,7-14H2,1-6H3
InChIKeyLFEPFDYMCOCXJB-UHFFFAOYSA-N
XLogP7.30
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.30
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

3-benzyl-5-methoxy-7-(2-methyloctan-2-yl)chromen-2-one
CID 70677959
5-methoxy-3-[(2-methoxyphenyl)methyl]-7-(2-methyloctan-2-yl)chromen-2-one
CID 70678098
2,6-dimethoxy-4-(2-methyloctan-2-yl)benzoyl chloride
CID 170928722
4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]cyclohex-3-en-1-one
CID 58803986
[(2S,6S)-5-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-1-methyl-3-tricyclo[4.1.0.02,7]hept-3-enyl]methanol
CID 143568824
[(1S,4S,5S)-4-[2-methoxy-6-methyl-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
CID 174171863
(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylheptan-2-yl)-6a,7,8,10a-tetrahydrobenzo[c]chromene
CID 44581105
[(5S)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol;fluoroform
CID 176561114
2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-3,7,7-trimethylbicyclo[2.2.1]hept-2-ene-1-carboxylic acid
CID 67205252
(6aR,9S,10aR)-1-methoxy-6,6-dimethyl-3-(2-methylheptan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-ol
CID 11660778
[(2R)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6-methylidenecyclohexyl] acetate
CID 66937738
[2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethyl-1-bicyclo[2.2.1]hept-2-enyl]methanol;[2-(2,6-dimethoxy-4-pentylphenyl)-7,7-dimethyl-1-bicyclo[2.2.1]hept-2-enyl]methanol
CID 67207087

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran?
The IUPAC name of 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran (CID 141162074) is 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran.
What is the SMILES notation for 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran?
The canonical SMILES for 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran is CCCCCCC(C)(C)c1cc(OC)c2c3c(oc2c1)CCCC3(C)C.
What is the InChIKey of 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran?
The InChIKey is LFEPFDYMCOCXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2/c1-7-8-9-10-13-23(2,3)17-15-19(25-6)21-20(16-17)26-18-12-11-14-24(4,5)22(18)21/h15-16H,7-14H2,1-6H3.
What are the key properties of 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran?
9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran has a molecular weight of 356.55 g/mol, XLogP of 7.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,1-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-dibenzofuran is sourced from PubChem (CID 141162074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).