(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one

C12H10O4 — CID 154631405

IUPAC(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one
SMILESO=C1C[C@H](O)[C@H](O)c2oc3ccccc3c21
InChIInChI=1S/C12H10O4/c13-7-5-8(14)11(15)12-10(7)6-3-1-2-4-9(6)16-12/h1-4,8,11,14-15H,5H2/t8-,11-/m0/s1
InChIKeyPPMRLTHZJFWYBV-KWQFWETISA-N
MW218.21 g/mol
LogP1.41
Rot. Bonds

About (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one

(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one (PubChem CID 154631405) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one.

Molecular Properties

Compound Name(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one
PubChem CID154631405
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one
SMILESO=C1C[C@H](O)[C@H](O)c2oc3ccccc3c21
InChIInChI=1S/C12H10O4/c13-7-5-8(14)11(15)12-10(7)6-3-1-2-4-9(6)16-12/h1-4,8,11,14-15H,5H2/t8-,11-/m0/s1
InChIKeyPPMRLTHZJFWYBV-KWQFWETISA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3S,4S)-3,4-dihydroxy-1-[(4-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroxanthen-9-one
CID 132599118
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
2-(3-oxocyclopenta[b][1]benzofuran-1-ylidene)propanedinitrile
CID 170222038
(1S,4S)-1-hydroxy-4-phenylselanyl-1,2,3,4-tetrahydroxanthen-9-one
CID 132599116
3-benzoyl-4-phenylchromen-2-one
CID 629843
2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid
CID 84694454
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
2-phenyl-3H-[1]benzofuro[2,3-c]pyrrol-1-one
CID 171059840
3-acetyl-4-phenylchromen-2-one
CID 56965161
(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
CID 94077339

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one?
The IUPAC name of (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one (CID 154631405) is (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one.
What is the SMILES notation for (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one?
The canonical SMILES for (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one is O=C1C[C@H](O)[C@H](O)c2oc3ccccc3c21.
What is the InChIKey of (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one?
The InChIKey is PPMRLTHZJFWYBV-KWQFWETISA-N. The full InChI is InChI=1S/C12H10O4/c13-7-5-8(14)11(15)12-10(7)6-3-1-2-4-9(6)16-12/h1-4,8,11,14-15H,5H2/t8-,11-/m0/s1.
What are the key properties of (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one?
(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one has a molecular weight of 218.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-dibenzofuran-1-one is sourced from PubChem (CID 154631405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).