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

C20H25NO3 — CID 5271562

IUPAC6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol
SMILESCNC1CC(O)C(C)(c2ccc(-c3ccccc3)cc2)OC1OC
InChIInChI=1S/C20H25NO3/c1-20(18(22)13-17(21-2)19(23-3)24-20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17-19,21-22H,13H2,1-3H3
InChIKeyYJPJAMGPVRJHFQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.91
Rot. Bonds4

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

6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol (PubChem CID 5271562) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol.

Molecular Properties

Compound Name6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol
PubChem CID5271562
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol
SMILESCNC1CC(O)C(C)(c2ccc(-c3ccccc3)cc2)OC1OC
InChIInChI=1S/C20H25NO3/c1-20(18(22)13-17(21-2)19(23-3)24-20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17-19,21-22H,13H2,1-3H3
InChIKeyYJPJAMGPVRJHFQ-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol?
The IUPAC name of 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol (CID 5271562) is 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol.
What is the SMILES notation for 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol?
The canonical SMILES for 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol is CNC1CC(O)C(C)(c2ccc(-c3ccccc3)cc2)OC1OC.
What is the InChIKey of 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol?
The InChIKey is YJPJAMGPVRJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(18(22)13-17(21-2)19(23-3)24-20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17-19,21-22H,13H2,1-3H3.
What are the key properties of 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol?
6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol has a molecular weight of 327.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol is sourced from PubChem (CID 5271562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).