[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

C24H27NO5 — CID 6669834

IUPAC[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1
InChIInChI=1S/C24H27NO5/c26-16-18-6-8-19(9-7-18)17-29-23-15-21(20-4-2-1-3-5-20)14-22(30-23)24(27)25-10-12-28-13-11-25/h1-9,14,21,23,26H,10-13,15-17H2/t21-,23+/m0/s1
InChIKeyNEDSIIOTKMFFNT-JTHBVZDNSA-N
MW409.48 g/mol
LogP2.97
Rot. Bonds6

About [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 6669834) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID6669834
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1
InChIInChI=1S/C24H27NO5/c26-16-18-6-8-19(9-7-18)17-29-23-15-21(20-4-2-1-3-5-20)14-22(30-23)24(27)25-10-12-28-13-11-25/h1-9,14,21,23,26H,10-13,15-17H2/t21-,23+/m0/s1
InChIKeyNEDSIIOTKMFFNT-JTHBVZDNSA-N
XLogP2.97
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 6669834) is [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is O=C(C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1.
What is the InChIKey of [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The InChIKey is NEDSIIOTKMFFNT-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H27NO5/c26-16-18-6-8-19(9-7-18)17-29-23-15-21(20-4-2-1-3-5-20)14-22(30-23)24(27)25-10-12-28-13-11-25/h1-9,14,21,23,26H,10-13,15-17H2/t21-,23+/m0/s1.
What are the key properties of [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 409.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6669834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).