2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene

C23H30O — CID 134887800

IUPAC2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene
SMILESCOCc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2
InChIInChI=1S/C23H30O/c1-22(2,3)18-8-9-20-15(11-18)10-16-12-19(23(4,5)6)13-17(14-24-7)21(16)20/h8-9,11-13H,10,14H2,1-7H3
InChIKeyXFORCTWDMJHQQO-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.00
Rot. Bonds2

About 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene

2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene (PubChem CID 134887800) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene
PubChem CID134887800
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene
SMILESCOCc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2
InChIInChI=1S/C23H30O/c1-22(2,3)18-8-9-20-15(11-18)10-16-12-19(23(4,5)6)13-17(14-24-7)21(16)20/h8-9,11-13H,10,14H2,1-7H3
InChIKeyXFORCTWDMJHQQO-UHFFFAOYSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Galaxolide
CID 91497
9,9-Bis(methoxymethyl)-9H-fluorene
CID 11054211
Dehydrobotrydienol
CID 10728408
4,4-Bis(methoxymethyl)biphenyl
CID 1519430
1H-Naphtho(2,3-c)pyran, 3,4,6,7,8,9-hexahydro-4,6,6,9,9-pentamethyl-
CID 102714
12-Hydroxydehydrobotrydienol
CID 10610690
8-Ethyl-1,3,4,6,7,8-hexahydro-4,6,6,8-tetramethylcyclopenta(g)-2-benzopyran
CID 10220788
2,7-Di-tert-butyl-9-fluorenylmethyl chloroformate
CID 4686311
(1R,2S)-2-Fluoro-1-methoxy-1-phenyl-indan
CID 10977615
1,3,4,7,8,9-Hexahydro-4,7,7,8,9,9-hexamethylcyclopenta[h]-2-benzopyran
CID 9903278
1,2,4,7,8,9-Hexahydro-1,7,7,8,9,9-hexamethylcyclopenta[f][2]benzopyran
CID 10199062
9-Methoxy-9H-fluorene
CID 155999

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene (CID 134887800) is 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene is COCc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2.
What is the InChIKey of 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene?
The InChIKey is XFORCTWDMJHQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-22(2,3)18-8-9-20-15(11-18)10-16-12-19(23(4,5)6)13-17(14-24-7)21(16)20/h8-9,11-13H,10,14H2,1-7H3.
What are the key properties of 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene?
2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene has a molecular weight of 322.49 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene is sourced from PubChem (CID 134887800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).