6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol

C19H22O3 — CID 144869562

IUPAC6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol
SMILESOc1ccccc1.c1ccc(CC2COC3CCOC23)cc1
InChIInChI=1S/C13H16O2.C6H6O/c1-2-4-10(5-3-1)8-11-9-15-12-6-7-14-13(11)12;7-6-4-2-1-3-5-6/h1-5,11-13H,6-9H2;1-5,7H
InChIKeyIMAGXVIQGDDQHS-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.43
Rot. Bonds2

About 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol

6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol (PubChem CID 144869562) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol.

Molecular Properties

Compound Name6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol
PubChem CID144869562
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol
SMILESOc1ccccc1.c1ccc(CC2COC3CCOC23)cc1
InChIInChI=1S/C13H16O2.C6H6O/c1-2-4-10(5-3-1)8-11-9-15-12-6-7-14-13(11)12;7-6-4-2-1-3-5-6/h1-5,11-13H,6-9H2;1-5,7H
InChIKeyIMAGXVIQGDDQHS-UHFFFAOYSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol with MolForge

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Related Compounds

(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 156643609
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran
CID 45277508
4-benzyloxolan-3-ol
CID 14785279
2-pentyloxetane;phenol
CID 67793049
(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 89160443
(2-benzyloxolan-3-yl)methanamine
CID 79368410
4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol
CID 57328685
2-benzyloxolane-3-carbonitrile
CID 79368490
4-[(2-methoxyoxetan-3-yl)methyl]phenol
CID 174284094
argon;phenol
CID 159678450
bromomethylbenzene;phenol
CID 67440564

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol?
The IUPAC name of 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol (CID 144869562) is 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol.
What is the SMILES notation for 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol?
The canonical SMILES for 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol is Oc1ccccc1.c1ccc(CC2COC3CCOC23)cc1.
What is the InChIKey of 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol?
The InChIKey is IMAGXVIQGDDQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C6H6O/c1-2-4-10(5-3-1)8-11-9-15-12-6-7-14-13(11)12;7-6-4-2-1-3-5-6/h1-5,11-13H,6-9H2;1-5,7H.
What are the key properties of 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol?
6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol has a molecular weight of 298.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol is sourced from PubChem (CID 144869562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).