(3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol

C19H20O2 — CID 101239046

IUPAC(3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol
SMILESO[C@H]1c2ccccc2C(Cc2ccccc2)[C@@H]2COC[C@H]12
InChIInChI=1S/C19H20O2/c20-19-15-9-5-4-8-14(15)16(17-11-21-12-18(17)19)10-13-6-2-1-3-7-13/h1-9,16-20H,10-12H2/t16?,17-,18-,19-/m0/s1
InChIKeyRWFIXIJZMYBDKY-JGINJTNGSA-N
MW280.37 g/mol
LogP3.32
Rot. Bonds2

About (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol

(3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol (PubChem CID 101239046) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol.

Molecular Properties

Compound Name(3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol
PubChem CID101239046
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol
SMILESO[C@H]1c2ccccc2C(Cc2ccccc2)[C@@H]2COC[C@H]12
InChIInChI=1S/C19H20O2/c20-19-15-9-5-4-8-14(15)16(17-11-21-12-18(17)19)10-13-6-2-1-3-7-13/h1-9,16-20H,10-12H2/t16?,17-,18-,19-/m0/s1
InChIKeyRWFIXIJZMYBDKY-JGINJTNGSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol with MolForge

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Related Compounds

4-benzyloxolan-3-ol
CID 14785279
(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
CID 844320
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
(3R,4S)-3,4-dibenzyloxolan-2-one
CID 14546898
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 10513766
(3S,4R)-4-benzyl-5-oxooxolane-3-carboxylic acid
CID 102287294
6-(1-chloro-2-phenylethyl)-3-oxabicyclo[3.1.0]hexane
CID 130921024
4-(dibenzylamino)oxolan-3-ol
CID 130502990
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
CID 86315413
4-benzyl-1,3-oxazolidine
CID 22719793
2-benzyl-1,4-dioxane
CID 12910406

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol?
The IUPAC name of (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol (CID 101239046) is (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol.
What is the SMILES notation for (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol?
The canonical SMILES for (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol is O[C@H]1c2ccccc2C(Cc2ccccc2)[C@@H]2COC[C@H]12.
What is the InChIKey of (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol?
The InChIKey is RWFIXIJZMYBDKY-JGINJTNGSA-N. The full InChI is InChI=1S/C19H20O2/c20-19-15-9-5-4-8-14(15)16(17-11-21-12-18(17)19)10-13-6-2-1-3-7-13/h1-9,16-20H,10-12H2/t16?,17-,18-,19-/m0/s1.
What are the key properties of (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol?
(3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol has a molecular weight of 280.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol is sourced from PubChem (CID 101239046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).