(4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one

C18H16O2 — CID 135067127

IUPAC(4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one
SMILESO=C1CC[C@H]2Oc3ccccc3[C@@]2(c2ccccc2)C1
InChIInChI=1S/C18H16O2/c19-14-10-11-17-18(12-14,13-6-2-1-3-7-13)15-8-4-5-9-16(15)20-17/h1-9,17H,10-12H2/t17-,18+/m1/s1
InChIKeyMMMMCAAHSYJVSM-MSOLQXFVSA-N
MW264.32 g/mol
LogP3.49
Rot. Bonds1

About (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one

(4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one (PubChem CID 135067127) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one.

Molecular Properties

Compound Name(4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one
PubChem CID135067127
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one
SMILESO=C1CC[C@H]2Oc3ccccc3[C@@]2(c2ccccc2)C1
InChIInChI=1S/C18H16O2/c19-14-10-11-17-18(12-14,13-6-2-1-3-7-13)15-8-4-5-9-16(15)20-17/h1-9,17H,10-12H2/t17-,18+/m1/s1
InChIKeyMMMMCAAHSYJVSM-MSOLQXFVSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one
CID 86181568
(2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol
CID 10633001
ethane;2-methyl-4,4-diphenyl-1,3-benzodioxine
CID 162436655
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide
CID 67838432
11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one
CID 6431893
(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
CID 101368746
(4aS,8aR)-2-methyl-4a-phenyl-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one
CID 71398192
oxalic acid;N,N,3-trimethyl-3-phenylspiro[2-benzofuran-1,4'-cyclohexane]-1'-amine
CID 12717470
(1R,8R,9S,13S)-1,8-diphenyl-14-oxa-11λ6-thiatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene 11,11-dioxide
CID 98554881
spiro[6H-benzo[b][1]benzoxepine-5,3'-cyclopentane]-1'-one
CID 59416811

Frequently Asked Questions

What is the IUPAC name of (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one?
The IUPAC name of (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one (CID 135067127) is (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one.
What is the SMILES notation for (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one?
The canonical SMILES for (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one is O=C1CC[C@H]2Oc3ccccc3[C@@]2(c2ccccc2)C1.
What is the InChIKey of (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one?
The InChIKey is MMMMCAAHSYJVSM-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H16O2/c19-14-10-11-17-18(12-14,13-6-2-1-3-7-13)15-8-4-5-9-16(15)20-17/h1-9,17H,10-12H2/t17-,18+/m1/s1.
What are the key properties of (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one?
(4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one has a molecular weight of 264.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one is sourced from PubChem (CID 135067127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).