(2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C22H26O3 — CID 101474976

IUPAC(2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCOc1cccc(C[C@@H]2C[C@H]3O[C@H](Cc4ccc(C)cc4)C[C@H]3O2)c1
InChIInChI=1S/C22H26O3/c1-15-6-8-16(9-7-15)10-19-13-21-22(24-19)14-20(25-21)12-17-4-3-5-18(11-17)23-2/h3-9,11,19-22H,10,12-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
InChIKeyXKNNCZPWTFHDMB-GXRSIYKFSA-N
MW338.45 g/mol
LogP4.10
Rot. Bonds5

About (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 101474976) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID101474976
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name(2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCOc1cccc(C[C@@H]2C[C@H]3O[C@H](Cc4ccc(C)cc4)C[C@H]3O2)c1
InChIInChI=1S/C22H26O3/c1-15-6-8-16(9-7-15)10-19-13-21-22(24-19)14-20(25-21)12-17-4-3-5-18(11-17)23-2/h3-9,11,19-22H,10,12-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
InChIKeyXKNNCZPWTFHDMB-GXRSIYKFSA-N
XLogP4.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 101474976) is (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is COc1cccc(C[C@@H]2C[C@H]3O[C@H](Cc4ccc(C)cc4)C[C@H]3O2)c1.
What is the InChIKey of (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is XKNNCZPWTFHDMB-GXRSIYKFSA-N. The full InChI is InChI=1S/C22H26O3/c1-15-6-8-16(9-7-15)10-19-13-21-22(24-19)14-20(25-21)12-17-4-3-5-18(11-17)23-2/h3-9,11,19-22H,10,12-14H2,1-2H3/t19-,20-,21-,22-/m1/s1.
What are the key properties of (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 338.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,5R,6aR)-5-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 101474976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).