3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol

C25H18O4 — CID 141152647

IUPAC3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
SMILESOc1cccc(-c2ccc3c(c2-c2cccc(O)c2O)Cc2ccccc2-3)c1O
InChIInChI=1S/C25H18O4/c26-21-9-3-7-18(24(21)28)17-12-11-16-15-6-2-1-5-14(15)13-20(16)23(17)19-8-4-10-22(27)25(19)29/h1-12,26-29H,13H2
InChIKeyWXVOCXRYTMJKOQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.41
Rot. Bonds2

About 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol

3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol (PubChem CID 141152647) has the molecular formula C25H18O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
PubChem CID141152647
Molecular FormulaC25H18O4
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Name3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
SMILESOc1cccc(-c2ccc3c(c2-c2cccc(O)c2O)Cc2ccccc2-3)c1O
InChIInChI=1S/C25H18O4/c26-21-9-3-7-18(24(21)28)17-12-11-16-15-6-2-1-5-14(15)13-20(16)23(17)19-8-4-10-22(27)25(19)29/h1-12,26-29H,13H2
InChIKeyWXVOCXRYTMJKOQ-UHFFFAOYSA-N
XLogP5.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.41
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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Related Compounds

4-(9H-fluoren-1-yl)benzene-1,2,3-triol
CID 139434157
3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
CID 160868332
2-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785
11H-indeno[1,2-i]phenanthrene-1,2-diol
CID 175248798
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
1,2-bis(2-ethynylphenyl)-9H-fluorene
CID 139911372
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
9H-fluoren-1-ol;prop-1-ene
CID 159607408
3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
CID 59253869

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol?
The IUPAC name of 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol (CID 141152647) is 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol.
What is the SMILES notation for 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol?
The canonical SMILES for 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol is Oc1cccc(-c2ccc3c(c2-c2cccc(O)c2O)Cc2ccccc2-3)c1O.
What is the InChIKey of 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol?
The InChIKey is WXVOCXRYTMJKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O4/c26-21-9-3-7-18(24(21)28)17-12-11-16-15-6-2-1-5-14(15)13-20(16)23(17)19-8-4-10-22(27)25(19)29/h1-12,26-29H,13H2.
What are the key properties of 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol?
3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol has a molecular weight of 382.42 g/mol, XLogP of 5.41, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol is sourced from PubChem (CID 141152647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).