9-(4-methylphenyl)fluoren-9-ol

C40H32O2 — CID 139066259

IUPAC9-(4-methylphenyl)fluoren-9-ol
SMILESCc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C20H16O/c2*1-14-10-12-15(13-11-14)20(21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2*2-13,21H,1H3
InChIKeySAFABZHGZKVFRQ-UHFFFAOYSA-N
MW544.69 g/mol
LogP8.52
Rot. Bonds2

About 9-(4-methylphenyl)fluoren-9-ol

9-(4-methylphenyl)fluoren-9-ol (PubChem CID 139066259) has the molecular formula C40H32O2 and a molecular weight of 544.69 g/mol. Its IUPAC name is 9-(4-methylphenyl)fluoren-9-ol.

Molecular Properties

Compound Name9-(4-methylphenyl)fluoren-9-ol
PubChem CID139066259
Molecular FormulaC40H32O2
Molecular Weight544.69 g/mol
Exact Mass544.24
IUPAC Name9-(4-methylphenyl)fluoren-9-ol
SMILESCc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C20H16O/c2*1-14-10-12-15(13-11-14)20(21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2*2-13,21H,1H3
InChIKeySAFABZHGZKVFRQ-UHFFFAOYSA-N
XLogP8.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.69
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-Methylphenyl)-9h-fluoren-9-ol
CID 291942
1,2-Dihydro-3-methylbenz(j)aceanthrylen-1-ol
CID 18759
9-Phenyl-9-fluorenol
CID 141227
9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol
CID 11733996
1,2-Dihydro-3-methylbenz(j)aceanthrylen-2-ol
CID 18710
9-(4-Methylphenyl)fluoren-9-ol
CID 257932
(9,9'-Bi-9H-fluorene)-9,9'-diol
CID 364755
Tribiphenyl-4-ylmethanol
CID 219999
[4-[4-[Hydroxy(diphenyl)methyl]phenyl]phenyl]-diphenylmethanol
CID 350648
1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol
CID 370268
9-Biphenyl-4-YL-9H-fluoren-9-OL
CID 5206934
1,2-Bis(4-methylphenyl)-1,2-dihydro-1,2-acenaphthylenediol
CID 264259

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)fluoren-9-ol?
The IUPAC name of 9-(4-methylphenyl)fluoren-9-ol (CID 139066259) is 9-(4-methylphenyl)fluoren-9-ol.
What is the SMILES notation for 9-(4-methylphenyl)fluoren-9-ol?
The canonical SMILES for 9-(4-methylphenyl)fluoren-9-ol is Cc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)fluoren-9-ol?
The InChIKey is SAFABZHGZKVFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16O/c2*1-14-10-12-15(13-11-14)20(21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2*2-13,21H,1H3.
What are the key properties of 9-(4-methylphenyl)fluoren-9-ol?
9-(4-methylphenyl)fluoren-9-ol has a molecular weight of 544.69 g/mol, XLogP of 8.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)fluoren-9-ol is sourced from PubChem (CID 139066259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).