(2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane

C27H36O3 — CID 143726154

About (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane

(2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane (PubChem CID 143726154) has the molecular formula C27H36O3 and a molecular weight of 408.58 g/mol. Its IUPAC name is (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane.

Molecular Properties

• Compound Name: (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane
• PubChem CID: 143726154
• Molecular Formula: C27H36O3
• Molecular Weight: 408.58 g/mol
• Exact Mass: 408.27
• IUPAC Name: (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane
• SMILES: CC.OC[C@@H]1C[C@H](O)C[C@H](c2ccc(C3CC3)c(Cc3ccc(C4CC4)cc3)c2)O1
• InChI: InChI=1S/C25H30O3.C2H6/c26-15-23-13-22(27)14-25(28-23)20-9-10-24(19-7-8-19)21(12-20)11-16-1-3-17(4-2-16)18-5-6-18;1-2/h1-4,9-10,12,18-19,22-23,25-27H,5-8,11,13-15H2;1-2H3/t22-,23-,25+;/m0./s1
• InChIKey: YDCBIDZTPQZHJN-CTUHRSERSA-N
• XLogP: 5.63
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.58
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane?

The IUPAC name of (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane (CID 143726154) is (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane.

What is the SMILES notation for (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane?

The canonical SMILES for (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane is CC.OC[C@@H]1C[C@H](O)C[C@H](c2ccc(C3CC3)c(Cc3ccc(C4CC4)cc3)c2)O1.

What is the InChIKey of (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane?

The InChIKey is YDCBIDZTPQZHJN-CTUHRSERSA-N. The full InChI is InChI=1S/C25H30O3.C2H6/c26-15-23-13-22(27)14-25(28-23)20-9-10-24(19-7-8-19)21(12-20)11-16-1-3-17(4-2-16)18-5-6-18;1-2/h1-4,9-10,12,18-19,22-23,25-27H,5-8,11,13-15H2;1-2H3/t22-,23-,25+;/m0./s1.

What are the key properties of (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane?

(2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane has a molecular weight of 408.58 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,6S)-2-[4-cyclopropyl-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane is sourced from PubChem (CID 143726154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).