[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone

C17H23NO4 — CID 97040222

IUPAC[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCOC[C@@H]1CO)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H23NO4/c19-12-15-13-22-11-8-18(15)16(20)17(6-9-21-10-7-17)14-4-2-1-3-5-14/h1-5,15,19H,6-13H2/t15-/m0/s1
InChIKeyJNFOURUUHNPRCN-HNNXBMFYSA-N
MW305.37 g/mol
LogP0.95
Rot. Bonds3

About [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone

[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 97040222) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID97040222
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCOC[C@@H]1CO)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H23NO4/c19-12-15-13-22-11-8-18(15)16(20)17(6-9-21-10-7-17)14-4-2-1-3-5-14/h1-5,15,19H,6-13H2/t15-/m0/s1
InChIKeyJNFOURUUHNPRCN-HNNXBMFYSA-N
XLogP0.95
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone (CID 97040222) is [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone is O=C(N1CCOC[C@@H]1CO)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is JNFOURUUHNPRCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-12-15-13-22-11-8-18(15)16(20)17(6-9-21-10-7-17)14-4-2-1-3-5-14/h1-5,15,19H,6-13H2/t15-/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone?
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 305.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 97040222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).