(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan

C14H18O3 — CID 145031681

IUPAC(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan
SMILESC[C@@]12OCC[C@@H]1[C@@H](OCc1ccccc1)CO2
InChIInChI=1S/C14H18O3/c1-14-12(7-8-16-14)13(10-17-14)15-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13+,14+/m1/s1
InChIKeyHRBMGPJFJVZXLW-RDBSUJKOSA-N
MW234.29 g/mol
LogP2.35
Rot. Bonds3

About (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan

(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan (PubChem CID 145031681) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan.

Molecular Properties

Compound Name(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan
PubChem CID145031681
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan
SMILESC[C@@]12OCC[C@@H]1[C@@H](OCc1ccccc1)CO2
InChIInChI=1S/C14H18O3/c1-14-12(7-8-16-14)13(10-17-14)15-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13+,14+/m1/s1
InChIKeyHRBMGPJFJVZXLW-RDBSUJKOSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan with MolForge

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Related Compounds

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(1R,2R,3S,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane
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CID 171358532
(2-phenylmethoxycyclopentyl)oxymethylbenzene
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(1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384086
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CID 163589446
(3R,4S,5R)-2-bromo-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 54179875
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
(3R,4R)-3-iodo-4-phenylmethoxyoxolane
CID 165354577
(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan?
The IUPAC name of (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan (CID 145031681) is (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan.
What is the SMILES notation for (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan?
The canonical SMILES for (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan is C[C@@]12OCC[C@@H]1[C@@H](OCc1ccccc1)CO2.
What is the InChIKey of (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan?
The InChIKey is HRBMGPJFJVZXLW-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H18O3/c1-14-12(7-8-16-14)13(10-17-14)15-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13+,14+/m1/s1.
What are the key properties of (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan?
(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan has a molecular weight of 234.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan is sourced from PubChem (CID 145031681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).