4-(9H-fluoren-1-yl)benzene-1,2,3-triol

C19H14O3 — CID 139434157

IUPAC4-(9H-fluoren-1-yl)benzene-1,2,3-triol
SMILESOc1ccc(-c2cccc3c2Cc2ccccc2-3)c(O)c1O
InChIInChI=1S/C19H14O3/c20-17-9-8-15(18(21)19(17)22)14-7-3-6-13-12-5-2-1-4-11(12)10-16(13)14/h1-9,20-22H,10H2
InChIKeyKZQIIFWNIUXCCN-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.04
Rot. Bonds1

About 4-(9H-fluoren-1-yl)benzene-1,2,3-triol

4-(9H-fluoren-1-yl)benzene-1,2,3-triol (PubChem CID 139434157) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(9H-fluoren-1-yl)benzene-1,2,3-triol
PubChem CID139434157
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name4-(9H-fluoren-1-yl)benzene-1,2,3-triol
SMILESOc1ccc(-c2cccc3c2Cc2ccccc2-3)c(O)c1O
InChIInChI=1S/C19H14O3/c20-17-9-8-15(18(21)19(17)22)14-7-3-6-13-12-5-2-1-4-11(12)10-16(13)14/h1-9,20-22H,10H2
InChIKeyKZQIIFWNIUXCCN-UHFFFAOYSA-N
XLogP4.04
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
CID 141152647
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
11H-indeno[1,2-i]phenanthrene-1,2-diol
CID 175248798
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
CID 87697352
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
9H-fluoren-1-ol;prop-1-ene
CID 159607408
3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
CID 160868332
2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186
1-ethoxy-9H-fluoren-2-ol
CID 174692103
2-(9H-fluoren-1-yl)acetamide
CID 22939017
2-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yl)benzene-1,2,3-triol?
The IUPAC name of 4-(9H-fluoren-1-yl)benzene-1,2,3-triol (CID 139434157) is 4-(9H-fluoren-1-yl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(9H-fluoren-1-yl)benzene-1,2,3-triol?
The canonical SMILES for 4-(9H-fluoren-1-yl)benzene-1,2,3-triol is Oc1ccc(-c2cccc3c2Cc2ccccc2-3)c(O)c1O.
What is the InChIKey of 4-(9H-fluoren-1-yl)benzene-1,2,3-triol?
The InChIKey is KZQIIFWNIUXCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-17-9-8-15(18(21)19(17)22)14-7-3-6-13-12-5-2-1-4-11(12)10-16(13)14/h1-9,20-22H,10H2.
What are the key properties of 4-(9H-fluoren-1-yl)benzene-1,2,3-triol?
4-(9H-fluoren-1-yl)benzene-1,2,3-triol has a molecular weight of 290.32 g/mol, XLogP of 4.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yl)benzene-1,2,3-triol is sourced from PubChem (CID 139434157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).