(3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

C33H32O2 — CID 59847190

IUPAC(3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESCO[C@]12CCC[C@@]1(C(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)CCO2
InChIInChI=1S/C33H32O2/c1-34-33-22-8-21-32(33,23-24-35-33)31(29-17-13-27(14-18-29)25-9-4-2-5-10-25)30-19-15-28(16-20-30)26-11-6-3-7-12-26/h2-7,9-20,31H,8,21-24H2,1H3/t32-,33-/m0/s1
InChIKeyITPJBEDZDFMGSN-LQJZCPKCSA-N
MW460.62 g/mol
LogP8.09
Rot. Bonds6

About (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

(3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 59847190) has the molecular formula C33H32O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
PubChem CID59847190
Molecular FormulaC33H32O2
Molecular Weight460.62 g/mol
Exact Mass460.24
IUPAC Name(3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESCO[C@]12CCC[C@@]1(C(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)CCO2
InChIInChI=1S/C33H32O2/c1-34-33-22-8-21-32(33,23-24-35-33)31(29-17-13-27(14-18-29)25-9-4-2-5-10-25)30-19-15-28(16-20-30)26-11-6-3-7-12-26/h2-7,9-20,31H,8,21-24H2,1H3/t32-,33-/m0/s1
InChIKeyITPJBEDZDFMGSN-LQJZCPKCSA-N
XLogP8.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (CID 59847190) is (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is CO[C@]12CCC[C@@]1(C(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)CCO2.
What is the InChIKey of (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is ITPJBEDZDFMGSN-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H32O2/c1-34-33-22-8-21-32(33,23-24-35-33)31(29-17-13-27(14-18-29)25-9-4-2-5-10-25)30-19-15-28(16-20-30)26-11-6-3-7-12-26/h2-7,9-20,31H,8,21-24H2,1H3/t32-,33-/m0/s1.
What are the key properties of (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
(3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 460.62 g/mol, XLogP of 8.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a-[bis(4-phenylphenyl)methyl]-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 59847190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).