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

C23H29NO4 — CID 5271564

IUPAC6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol
SMILESCOC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N1CCOCC1
InChIInChI=1S/C23H29NO4/c1-23(19-10-8-18(9-11-19)17-6-4-3-5-7-17)21(25)16-20(22(26-2)28-23)24-12-14-27-15-13-24/h3-11,20-22,25H,12-16H2,1-2H3
InChIKeyBKTMHLZVNAXAGT-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.02
Rot. Bonds4

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

6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol (PubChem CID 5271564) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol.

Molecular Properties

Compound Name6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol
PubChem CID5271564
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol
SMILESCOC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N1CCOCC1
InChIInChI=1S/C23H29NO4/c1-23(19-10-8-18(9-11-19)17-6-4-3-5-7-17)21(25)16-20(22(26-2)28-23)24-12-14-27-15-13-24/h3-11,20-22,25H,12-16H2,1-2H3
InChIKeyBKTMHLZVNAXAGT-UHFFFAOYSA-N
XLogP3.02
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.02
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-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol?
The IUPAC name of 6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol (CID 5271564) is 6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol.
What is the SMILES notation for 6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol?
The canonical SMILES for 6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol is COC1OC(C)(c2ccc(-c3ccccc3)cc2)C(O)CC1N1CCOCC1.
What is the InChIKey of 6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol?
The InChIKey is BKTMHLZVNAXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-23(19-10-8-18(9-11-19)17-6-4-3-5-7-17)21(25)16-20(22(26-2)28-23)24-12-14-27-15-13-24/h3-11,20-22,25H,12-16H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol?
6-methoxy-2-methyl-5-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol has a molecular weight of 383.49 g/mol, XLogP of 3.02, 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-morpholin-4-yl-2-(4-phenylphenyl)oxan-3-ol is sourced from PubChem (CID 5271564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).