4a,10a-dihydroxanthen-4-one

C13H10O2 — CID 18614999

IUPAC4a,10a-dihydroxanthen-4-one
SMILESO=C1C=CC=C2C=C3C=CC=CC3OC12
InChIInChI=1S/C13H10O2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8,12-13H
InChIKeyOUJCZJHIYLALJA-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.87
Rot. Bonds

About 4a,10a-dihydroxanthen-4-one

4a,10a-dihydroxanthen-4-one (PubChem CID 18614999) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4a,10a-dihydroxanthen-4-one.

Molecular Properties

Compound Name4a,10a-dihydroxanthen-4-one
PubChem CID18614999
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name4a,10a-dihydroxanthen-4-one
SMILESO=C1C=CC=C2C=C3C=CC=CC3OC12
InChIInChI=1S/C13H10O2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8,12-13H
InChIKeyOUJCZJHIYLALJA-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,10a-dihydroxanthen-4-one?
The IUPAC name of 4a,10a-dihydroxanthen-4-one (CID 18614999) is 4a,10a-dihydroxanthen-4-one.
What is the SMILES notation for 4a,10a-dihydroxanthen-4-one?
The canonical SMILES for 4a,10a-dihydroxanthen-4-one is O=C1C=CC=C2C=C3C=CC=CC3OC12.
What is the InChIKey of 4a,10a-dihydroxanthen-4-one?
The InChIKey is OUJCZJHIYLALJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8,12-13H.
What are the key properties of 4a,10a-dihydroxanthen-4-one?
4a,10a-dihydroxanthen-4-one has a molecular weight of 198.22 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,10a-dihydroxanthen-4-one is sourced from PubChem (CID 18614999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).