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

C20H23NO3 — CID 44828400

IUPAC3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCOCC2)c2ccccc2)c1O
InChIInChI=1S/C20H23NO3/c1-15-6-5-9-17(20(15)23)18(16-7-3-2-4-8-16)14-19(22)21-10-12-24-13-11-21/h2-9,18,23H,10-14H2,1H3
InChIKeyURUGGSOKLQVZFI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.08
Rot. Bonds4

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

3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 44828400) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID44828400
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCOCC2)c2ccccc2)c1O
InChIInChI=1S/C20H23NO3/c1-15-6-5-9-17(20(15)23)18(16-7-3-2-4-8-16)14-19(22)21-10-12-24-13-11-21/h2-9,18,23H,10-14H2,1H3
InChIKeyURUGGSOKLQVZFI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (CID 44828400) is 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is Cc1cccc(C(CC(=O)N2CCOCC2)c2ccccc2)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is URUGGSOKLQVZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-6-5-9-17(20(15)23)18(16-7-3-2-4-8-16)14-19(22)21-10-12-24-13-11-21/h2-9,18,23H,10-14H2,1H3.
What are the key properties of 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
3-(2-hydroxy-3-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 3-(2-hydroxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 44828400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).