5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol

C21H27NO3 — CID 5271561

IUPAC5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol
SMILESCOC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N(C)C
InChIInChI=1S/C21H27NO3/c1-21(19(23)14-18(22(2)3)20(24-4)25-21)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,18-20,23H,14H2,1-4H3
InChIKeyCCZCVKJXNJHBNZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.25
Rot. Bonds4

About 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol

5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol (PubChem CID 5271561) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol.

Molecular Properties

Compound Name5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol
PubChem CID5271561
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol
SMILESCOC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N(C)C
InChIInChI=1S/C21H27NO3/c1-21(19(23)14-18(22(2)3)20(24-4)25-21)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,18-20,23H,14H2,1-4H3
InChIKeyCCZCVKJXNJHBNZ-UHFFFAOYSA-N
XLogP3.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol?
The IUPAC name of 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol (CID 5271561) is 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol.
What is the SMILES notation for 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol?
The canonical SMILES for 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol is COC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N(C)C.
What is the InChIKey of 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol?
The InChIKey is CCZCVKJXNJHBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-21(19(23)14-18(22(2)3)20(24-4)25-21)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,18-20,23H,14H2,1-4H3.
What are the key properties of 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol?
5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol has a molecular weight of 341.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol is sourced from PubChem (CID 5271561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).