(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C13H16O3 — CID 156643609

IUPAC(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESc1ccc(COC2CO[C@@H]3CCOC23)cc1
InChIInChI=1S/C13H16O3/c1-2-4-10(5-3-1)8-15-12-9-16-11-6-7-14-13(11)12/h1-5,11-13H,6-9H2/t11-,12?,13?/m1/s1
InChIKeyPHFUIGMQLPUQTO-PNESKVBLSA-N
MW220.27 g/mol
LogP1.76
Rot. Bonds3

About (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 156643609) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID156643609
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESc1ccc(COC2CO[C@@H]3CCOC23)cc1
InChIInChI=1S/C13H16O3/c1-2-4-10(5-3-1)8-15-12-9-16-11-6-7-14-13(11)12/h1-5,11-13H,6-9H2/t11-,12?,13?/m1/s1
InChIKeyPHFUIGMQLPUQTO-PNESKVBLSA-N
XLogP1.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 45361682
8,9-bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 162664103
2-phenylmethoxyoxetane
CID 23030739
2-[[(3R,3aR,6S,6aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]ethanol
CID 146629320
(3S,3aR,6R,6aS)-N-phenyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 23256240
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(3R,3aR,6R,6aR)-3-phenylmethoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 11033116
6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol
CID 144869562
[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(cyclopropylmethyl)azanium
CID 11911705
(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845

Frequently Asked Questions

What is the IUPAC name of (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 156643609) is (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is c1ccc(COC2CO[C@@H]3CCOC23)cc1.
What is the InChIKey of (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is PHFUIGMQLPUQTO-PNESKVBLSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-4-10(5-3-1)8-15-12-9-16-11-6-7-14-13(11)12/h1-5,11-13H,6-9H2/t11-,12?,13?/m1/s1.
What are the key properties of (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 220.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 156643609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).