(2,7-ditert-butyl-9H-fluoren-9-yl)methanol

C22H28O — CID 5107726

IUPAC(2,7-ditert-butyl-9H-fluoren-9-yl)methanol
SMILESCC(C)(C)c1ccc2c(c1)C(CO)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C22H28O/c1-21(2,3)14-7-9-16-17-10-8-15(22(4,5)6)12-19(17)20(13-23)18(16)11-14/h7-12,20,23H,13H2,1-6H3
InChIKeyHMVSJFHAWQHGEQ-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.39
Rot. Bonds1

About (2,7-ditert-butyl-9H-fluoren-9-yl)methanol

(2,7-ditert-butyl-9H-fluoren-9-yl)methanol (PubChem CID 5107726) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is (2,7-ditert-butyl-9H-fluoren-9-yl)methanol.

Molecular Properties

Compound Name(2,7-ditert-butyl-9H-fluoren-9-yl)methanol
PubChem CID5107726
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name(2,7-ditert-butyl-9H-fluoren-9-yl)methanol
SMILESCC(C)(C)c1ccc2c(c1)C(CO)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C22H28O/c1-21(2,3)14-7-9-16-17-10-8-15(22(4,5)6)12-19(17)20(13-23)18(16)11-14/h7-12,20,23H,13H2,1-6H3
InChIKeyHMVSJFHAWQHGEQ-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,7-ditert-butyl-9H-fluoren-9-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,7-ditert-butyl-9H-fluoren-9-yl)methanol?
The IUPAC name of (2,7-ditert-butyl-9H-fluoren-9-yl)methanol (CID 5107726) is (2,7-ditert-butyl-9H-fluoren-9-yl)methanol.
What is the SMILES notation for (2,7-ditert-butyl-9H-fluoren-9-yl)methanol?
The canonical SMILES for (2,7-ditert-butyl-9H-fluoren-9-yl)methanol is CC(C)(C)c1ccc2c(c1)C(CO)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of (2,7-ditert-butyl-9H-fluoren-9-yl)methanol?
The InChIKey is HMVSJFHAWQHGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-21(2,3)14-7-9-16-17-10-8-15(22(4,5)6)12-19(17)20(13-23)18(16)11-14/h7-12,20,23H,13H2,1-6H3.
What are the key properties of (2,7-ditert-butyl-9H-fluoren-9-yl)methanol?
(2,7-ditert-butyl-9H-fluoren-9-yl)methanol has a molecular weight of 308.47 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-9H-fluoren-9-yl)methanol is sourced from PubChem (CID 5107726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).