(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol

C21H26O — CID 130401999

IUPAC(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol
SMILESCC(C)c1ccc2c(c1)[C@](C)(O)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C21H26O/c1-13(2)14-7-9-16-17-10-8-15(20(3,4)5)12-19(17)21(6,22)18(16)11-14/h7-13,22H,1-6H3/t21-/m0/s1
InChIKeyMZZZMXOQGFBFLV-NRFANRHFSA-N
MW294.44 g/mol
LogP5.34
Rot. Bonds1

About (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol

(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol (PubChem CID 130401999) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol.

Molecular Properties

Compound Name(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol
PubChem CID130401999
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol
SMILESCC(C)c1ccc2c(c1)[C@](C)(O)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C21H26O/c1-13(2)14-7-9-16-17-10-8-15(20(3,4)5)12-19(17)21(6,22)18(16)11-14/h7-13,22H,1-6H3/t21-/m0/s1
InChIKeyMZZZMXOQGFBFLV-NRFANRHFSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]
CID 170534798
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798
(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane
CID 67896056
2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 11767814
2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene
CID 155041547
2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine
CID 177067137
2',7'-di(propan-2-yl)spiro[cyclopentene-4,9'-fluorene]
CID 178181319
2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene
CID 90463480
9,9,10,10-tetramethyl-2,6-di(propan-2-yl)anthracene
CID 59611136
4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
CID 165380290
(7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 10712074
2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene
CID 178181307

Frequently Asked Questions

What is the IUPAC name of (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol?
The IUPAC name of (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol (CID 130401999) is (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol.
What is the SMILES notation for (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol?
The canonical SMILES for (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol is CC(C)c1ccc2c(c1)[C@](C)(O)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol?
The InChIKey is MZZZMXOQGFBFLV-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26O/c1-13(2)14-7-9-16-17-10-8-15(20(3,4)5)12-19(17)21(6,22)18(16)11-14/h7-13,22H,1-6H3/t21-/m0/s1.
What are the key properties of (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol?
(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol has a molecular weight of 294.44 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol is sourced from PubChem (CID 130401999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).