6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol

C24H32N2O3 — CID 5271563

IUPAC6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol
SMILESCOC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N1CCN(C)CC1
InChIInChI=1S/C24H32N2O3/c1-24(20-11-9-19(10-12-20)18-7-5-4-6-8-18)22(27)17-21(23(28-3)29-24)26-15-13-25(2)14-16-26/h4-12,21-23,27H,13-17H2,1-3H3
InChIKeyBSGGUNAZMRJFTD-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.94
Rot. Bonds4

About 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol

6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol (PubChem CID 5271563) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol.

Molecular Properties

Compound Name6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol
PubChem CID5271563
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol
SMILESCOC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N1CCN(C)CC1
InChIInChI=1S/C24H32N2O3/c1-24(20-11-9-19(10-12-20)18-7-5-4-6-8-18)22(27)17-21(23(28-3)29-24)26-15-13-25(2)14-16-26/h4-12,21-23,27H,13-17H2,1-3H3
InChIKeyBSGGUNAZMRJFTD-UHFFFAOYSA-N
XLogP2.94
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol?
The IUPAC name of 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol (CID 5271563) is 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol.
What is the SMILES notation for 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol?
The canonical SMILES for 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol is COC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N1CCN(C)CC1.
What is the InChIKey of 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol?
The InChIKey is BSGGUNAZMRJFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-24(20-11-9-19(10-12-20)18-7-5-4-6-8-18)22(27)17-21(23(28-3)29-24)26-15-13-25(2)14-16-26/h4-12,21-23,27H,13-17H2,1-3H3.
What are the key properties of 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol?
6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol has a molecular weight of 396.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)oxan-3-ol is sourced from PubChem (CID 5271563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).