1,9a-dihydroxy-1H-fluoren-9-one

C13H10O3 — CID 25202226

IUPAC1,9a-dihydroxy-1H-fluoren-9-one
SMILESO=C1c2ccccc2C2=CC=CC(O)C12O
InChIInChI=1S/C13H10O3/c14-11-7-3-6-10-8-4-1-2-5-9(8)12(15)13(10,11)16/h1-7,11,14,16H
InChIKeyCZWUUOGKBHOBEC-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.93
Rot. Bonds

About 1,9a-dihydroxy-1H-fluoren-9-one

1,9a-dihydroxy-1H-fluoren-9-one (PubChem CID 25202226) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1,9a-dihydroxy-1H-fluoren-9-one.

Molecular Properties

Compound Name1,9a-dihydroxy-1H-fluoren-9-one
PubChem CID25202226
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name1,9a-dihydroxy-1H-fluoren-9-one
SMILESO=C1c2ccccc2C2=CC=CC(O)C12O
InChIInChI=1S/C13H10O3/c14-11-7-3-6-10-8-4-1-2-5-9(8)12(15)13(10,11)16/h1-7,11,14,16H
InChIKeyCZWUUOGKBHOBEC-UHFFFAOYSA-N
XLogP0.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9a-dihydroxy-1H-fluoren-9-one?
The IUPAC name of 1,9a-dihydroxy-1H-fluoren-9-one (CID 25202226) is 1,9a-dihydroxy-1H-fluoren-9-one.
What is the SMILES notation for 1,9a-dihydroxy-1H-fluoren-9-one?
The canonical SMILES for 1,9a-dihydroxy-1H-fluoren-9-one is O=C1c2ccccc2C2=CC=CC(O)C12O.
What is the InChIKey of 1,9a-dihydroxy-1H-fluoren-9-one?
The InChIKey is CZWUUOGKBHOBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-11-7-3-6-10-8-4-1-2-5-9(8)12(15)13(10,11)16/h1-7,11,14,16H.
What are the key properties of 1,9a-dihydroxy-1H-fluoren-9-one?
1,9a-dihydroxy-1H-fluoren-9-one has a molecular weight of 214.22 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9a-dihydroxy-1H-fluoren-9-one is sourced from PubChem (CID 25202226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).