2,6-ditert-butyl-1,9-dihydrofluoren-2-ol

C21H28O — CID 174384055

IUPAC2,6-ditert-butyl-1,9-dihydrofluoren-2-ol
SMILESCC(C)(C)c1ccc2c(c1)C1=C(C2)CC(O)(C(C)(C)C)C=C1
InChIInChI=1S/C21H28O/c1-19(2,3)16-8-7-14-11-15-13-21(22,20(4,5)6)10-9-17(15)18(14)12-16/h7-10,12,22H,11,13H2,1-6H3
InChIKeyIQTWKZXPNSEQOM-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.03
Rot. Bonds

About 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol

2,6-ditert-butyl-1,9-dihydrofluoren-2-ol (PubChem CID 174384055) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-1,9-dihydrofluoren-2-ol
PubChem CID174384055
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name2,6-ditert-butyl-1,9-dihydrofluoren-2-ol
SMILESCC(C)(C)c1ccc2c(c1)C1=C(C2)CC(O)(C(C)(C)C)C=C1
InChIInChI=1S/C21H28O/c1-19(2,3)16-8-7-14-11-15-13-21(22,20(4,5)6)10-9-17(15)18(14)12-16/h7-10,12,22H,11,13H2,1-6H3
InChIKeyIQTWKZXPNSEQOM-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium
CID 174395935
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
7-tert-butyl-1,4-dihydroquinoline-2,3-dione
CID 59151703
1-bromo-3,6-ditert-butyl-9H-fluorene
CID 152720081
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
3,5-ditert-butyl-1H-indene
CID 20675508
7-tert-butylspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one
CID 82132378
(2E)-5-tert-butyl-2-hydroxyimino-3H-inden-1-one
CID 24777654
3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;zirconium(3+);dibromide
CID 172713577
6-tert-butyl-2-methyl-3H-isoindol-1-one
CID 58124079

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol?
The IUPAC name of 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol (CID 174384055) is 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol.
What is the SMILES notation for 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol?
The canonical SMILES for 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol is CC(C)(C)c1ccc2c(c1)C1=C(C2)CC(O)(C(C)(C)C)C=C1.
What is the InChIKey of 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol?
The InChIKey is IQTWKZXPNSEQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-19(2,3)16-8-7-14-11-15-13-21(22,20(4,5)6)10-9-17(15)18(14)12-16/h7-10,12,22H,11,13H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol?
2,6-ditert-butyl-1,9-dihydrofluoren-2-ol has a molecular weight of 296.45 g/mol, XLogP of 5.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1,9-dihydrofluoren-2-ol is sourced from PubChem (CID 174384055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).