bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate

C116H138N2O14 — CID 139179386

About bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate

bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate (PubChem CID 139179386) has the molecular formula C116H138N2O14 and a molecular weight of 1784.38 g/mol. Its IUPAC name is bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate.

Molecular Properties

• Compound Name: bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate
• PubChem CID: 139179386
• Molecular Formula: C116H138N2O14
• Molecular Weight: 1784.38 g/mol
• Exact Mass: 1783.01
• IUPAC Name: bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate
• SMILES: C1COCC[NH2+]1.C1COCC[NH2+]1.CC1(C)C[C@@](C)(c2ccc(O)cc2)c2ccccc2O1.CC1(C)C[C@@](C)(c2ccc([O-])cc2)c2ccccc2O1.CC1(C)C[C@](C)(c2ccc(O)cc2)c2ccccc2O1.CC1(C)C[C@](C)(c2ccc(O)cc2)c2ccccc2O1.CC1(C)C[C@](C)(c2ccc(O)cc2)c2ccccc2O1.CC1(C)C[C@](C)(c2ccc([O-])cc2)c2ccccc2O1
• InChI: InChI=1S/6C18H20O2.2C4H9NO/c6*1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17;2*1-3-6-4-2-5-1/h6*4-11,19H,12H2,1-3H3;2*5H,1-4H2/t6*18-;;/m111100../s1
• InChIKey: FJEJHLNKEXUSKZ-IHWBXWDVSA-N
• XLogP: 21.45
• TPSA: 234.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1784.38
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate?

The IUPAC name of bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate (CID 139179386) is bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate.

What is the SMILES notation for bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate?

The canonical SMILES for bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate is C1COCC[NH2+]1.C1COCC[NH2+]1.CC1(C)C[C@@](C)(c2ccc(O)cc2)c2ccccc2O1.CC1(C)C[C@@](C)(c2ccc([O-])cc2)c2ccccc2O1.CC1(C)C[C@](C)(c2ccc(O)cc2)c2ccccc2O1.CC1(C)C[C@](C)(c2ccc(O)cc2)c2ccccc2O1.CC1(C)C[C@](C)(c2ccc(O)cc2)c2ccccc2O1.CC1(C)C[C@](C)(c2ccc([O-])cc2)c2ccccc2O1.

What is the InChIKey of bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate?

The InChIKey is FJEJHLNKEXUSKZ-IHWBXWDVSA-N. The full InChI is InChI=1S/6C18H20O2.2C4H9NO/c6*1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17;2*1-3-6-4-2-5-1/h6*4-11,19H,12H2,1-3H3;2*5H,1-4H2/t6*18-;;/m111100../s1.

What are the key properties of bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate?

bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate has a molecular weight of 1784.38 g/mol, XLogP of 21.45, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(morpholin-4-ium);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenol;tris(4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenol);4-[(4S)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate;4-[(4R)-2,2,4-trimethyl-3H-chromen-4-yl]phenolate is sourced from PubChem (CID 139179386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).