(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one

C20H23NO3 — CID 40595933

IUPAC(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESCc1ccc(O)c([C@@H](CC(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C20H23NO3/c1-15-7-8-19(22)18(13-15)17(16-5-3-2-4-6-16)14-20(23)21-9-11-24-12-10-21/h2-8,13,17,22H,9-12,14H2,1H3/t17-/m0/s1
InChIKeyAXEAEJGAXQYWKG-KRWDZBQOSA-N
MW325.41 g/mol
LogP3.08
Rot. Bonds4

About (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one

(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 40595933) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID40595933
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESCc1ccc(O)c([C@@H](CC(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C20H23NO3/c1-15-7-8-19(22)18(13-15)17(16-5-3-2-4-6-16)14-20(23)21-9-11-24-12-10-21/h2-8,13,17,22H,9-12,14H2,1H3/t17-/m0/s1
InChIKeyAXEAEJGAXQYWKG-KRWDZBQOSA-N
XLogP3.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
4-[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanoyl]piperazine-1-carbaldehyde
CID 2012457
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551
(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314550

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (CID 40595933) is (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is Cc1ccc(O)c([C@@H](CC(=O)N2CCOCC2)c2ccccc2)c1.
What is the InChIKey of (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is AXEAEJGAXQYWKG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-7-8-19(22)18(13-15)17(16-5-3-2-4-6-16)14-20(23)21-9-11-24-12-10-21/h2-8,13,17,22H,9-12,14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 325.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 40595933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).