2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene

C23H30O — CID 141021383

IUPAC2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene
SMILESCCc1cc2c(cc1CC)-c1cc(CC)c(CC)c(COC)c1C2
InChIInChI=1S/C23H30O/c1-6-15-10-18-13-22-21(20(18)11-16(15)7-2)12-17(8-3)19(9-4)23(22)14-24-5/h10-12H,6-9,13-14H2,1-5H3
InChIKeyKMVKBCJJXJODFX-UHFFFAOYSA-N
MW322.49 g/mol
LogP5.65
Rot. Bonds6

About 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene

2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene (PubChem CID 141021383) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene.

Molecular Properties

Compound Name2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene
PubChem CID141021383
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene
SMILESCCc1cc2c(cc1CC)-c1cc(CC)c(CC)c(COC)c1C2
InChIInChI=1S/C23H30O/c1-6-15-10-18-13-22-21(20(18)11-16(15)7-2)12-17(8-3)19(9-4)23(22)14-24-5/h10-12H,6-9,13-14H2,1-5H3
InChIKeyKMVKBCJJXJODFX-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-diethyl-9H-fluoren-1-yl)boronic acid
CID 141433913
1,2,3,6,7,8-hexaethyl-1,4-dihydronaphthalene
CID 173140457
1,2-diethyl-9H-fluorene
CID 23440471
5,6-diethyl-2,3-dihydroinden-1-one
CID 22238300
N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide
CID 151617636
2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol
CID 158330008
1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene
CID 158660658
5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine
CID 142804209
3,4-diethyl-6-methylbenzene-1,2-diamine
CID 3018588
5,5',6,6'-tetraethyl-2,2'-spirobi[1,3-dihydroindene]-4'-carbaldehyde
CID 12740215
3,4,5-tris(methoxymethyl)benzamide
CID 91191156
7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
CID 12686517

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene?
The IUPAC name of 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene (CID 141021383) is 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene.
What is the SMILES notation for 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene?
The canonical SMILES for 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene is CCc1cc2c(cc1CC)-c1cc(CC)c(CC)c(COC)c1C2.
What is the InChIKey of 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene?
The InChIKey is KMVKBCJJXJODFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-6-15-10-18-13-22-21(20(18)11-16(15)7-2)12-17(8-3)19(9-4)23(22)14-24-5/h10-12H,6-9,13-14H2,1-5H3.
What are the key properties of 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene?
2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene has a molecular weight of 322.49 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetraethyl-1-(methoxymethyl)-9H-fluorene is sourced from PubChem (CID 141021383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).