(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one

C18H18FNO3 — CID 72725322

IUPAC(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
SMILESCOc1cc(F)ccc1[C@H]1CN(Cc2ccccc2)C(=O)CO1
InChIInChI=1S/C18H18FNO3/c1-22-16-9-14(19)7-8-15(16)17-11-20(18(21)12-23-17)10-13-5-3-2-4-6-13/h2-9,17H,10-12H2,1H3/t17-/m1/s1
InChIKeyBKTMEFVIFBZNTP-QGZVFWFLSA-N
MW315.34 g/mol
LogP2.93
Rot. Bonds4

About (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one

(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one (PubChem CID 72725322) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
PubChem CID72725322
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
SMILESCOc1cc(F)ccc1[C@H]1CN(Cc2ccccc2)C(=O)CO1
InChIInChI=1S/C18H18FNO3/c1-22-16-9-14(19)7-8-15(16)17-11-20(18(21)12-23-17)10-13-5-3-2-4-6-13/h2-9,17H,10-12H2,1H3/t17-/m1/s1
InChIKeyBKTMEFVIFBZNTP-QGZVFWFLSA-N
XLogP2.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one?
The IUPAC name of (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one (CID 72725322) is (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one.
What is the SMILES notation for (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one?
The canonical SMILES for (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one is COc1cc(F)ccc1[C@H]1CN(Cc2ccccc2)C(=O)CO1.
What is the InChIKey of (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one?
The InChIKey is BKTMEFVIFBZNTP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-22-16-9-14(19)7-8-15(16)17-11-20(18(21)12-23-17)10-13-5-3-2-4-6-13/h2-9,17H,10-12H2,1H3/t17-/m1/s1.
What are the key properties of (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one?
(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one has a molecular weight of 315.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one is sourced from PubChem (CID 72725322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).