(4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one

C12H12O3 — CID 132521070

IUPAC(4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one
SMILESO=C1CC[C@H]2c3c(O)cccc3O[C@H]2C1
InChIInChI=1S/C12H12O3/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-3,8,11,14H,4-6H2/t8-,11+/m1/s1
InChIKeyJNORIEZTBRDRNU-KCJUWKMLSA-N
MW204.22 g/mol
LogP1.99
Rot. Bonds

About (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one

(4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one (PubChem CID 132521070) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one.

Molecular Properties

Compound Name(4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one
PubChem CID132521070
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one
SMILESO=C1CC[C@H]2c3c(O)cccc3O[C@H]2C1
InChIInChI=1S/C12H12O3/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-3,8,11,14H,4-6H2/t8-,11+/m1/s1
InChIKeyJNORIEZTBRDRNU-KCJUWKMLSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one?
The IUPAC name of (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one (CID 132521070) is (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one.
What is the SMILES notation for (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one?
The canonical SMILES for (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one is O=C1CC[C@H]2c3c(O)cccc3O[C@H]2C1.
What is the InChIKey of (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one?
The InChIKey is JNORIEZTBRDRNU-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H12O3/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-3,8,11,14H,4-6H2/t8-,11+/m1/s1.
What are the key properties of (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one?
(4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one has a molecular weight of 204.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9bS)-9-hydroxy-2,4,4a,9b-tetrahydro-1H-dibenzofuran-3-one is sourced from PubChem (CID 132521070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).