9-benzyl-9H-fluorene-2,3,6,7-tetrol

C20H16O4 — CID 21255420

IUPAC9-benzyl-9H-fluorene-2,3,6,7-tetrol
SMILESOc1cc2c(cc1O)C(Cc1ccccc1)c1cc(O)c(O)cc1-2
InChIInChI=1S/C20H16O4/c21-17-7-13-12(6-11-4-2-1-3-5-11)14-8-18(22)20(24)10-16(14)15(13)9-19(17)23/h1-5,7-10,12,21-24H,6H2
InChIKeyCJYFCWFCOIUEJO-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.86
Rot. Bonds2

About 9-benzyl-9H-fluorene-2,3,6,7-tetrol

9-benzyl-9H-fluorene-2,3,6,7-tetrol (PubChem CID 21255420) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 9-benzyl-9H-fluorene-2,3,6,7-tetrol.

Molecular Properties

Compound Name9-benzyl-9H-fluorene-2,3,6,7-tetrol
PubChem CID21255420
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name9-benzyl-9H-fluorene-2,3,6,7-tetrol
SMILESOc1cc2c(cc1O)C(Cc1ccccc1)c1cc(O)c(O)cc1-2
InChIInChI=1S/C20H16O4/c21-17-7-13-12(6-11-4-2-1-3-5-11)14-8-18(22)20(24)10-16(14)15(13)9-19(17)23/h1-5,7-10,12,21-24H,6H2
InChIKeyCJYFCWFCOIUEJO-UHFFFAOYSA-N
XLogP3.86
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-9H-fluorene-2,3,6,7-tetrol?
The IUPAC name of 9-benzyl-9H-fluorene-2,3,6,7-tetrol (CID 21255420) is 9-benzyl-9H-fluorene-2,3,6,7-tetrol.
What is the SMILES notation for 9-benzyl-9H-fluorene-2,3,6,7-tetrol?
The canonical SMILES for 9-benzyl-9H-fluorene-2,3,6,7-tetrol is Oc1cc2c(cc1O)C(Cc1ccccc1)c1cc(O)c(O)cc1-2.
What is the InChIKey of 9-benzyl-9H-fluorene-2,3,6,7-tetrol?
The InChIKey is CJYFCWFCOIUEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c21-17-7-13-12(6-11-4-2-1-3-5-11)14-8-18(22)20(24)10-16(14)15(13)9-19(17)23/h1-5,7-10,12,21-24H,6H2.
What are the key properties of 9-benzyl-9H-fluorene-2,3,6,7-tetrol?
9-benzyl-9H-fluorene-2,3,6,7-tetrol has a molecular weight of 320.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-9H-fluorene-2,3,6,7-tetrol is sourced from PubChem (CID 21255420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).