1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

C16H23NO3 — CID 81204175

IUPAC1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCOC(CO)C2)cc1C
InChIInChI=1S/C16H23NO3/c1-11-4-5-14(8-12(11)2)16(19)13(3)17-6-7-20-15(9-17)10-18/h4-5,8,13,15,18H,6-7,9-10H2,1-3H3
InChIKeyRAIYFGJKUOTETE-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.57
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 81204175) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID81204175
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCOC(CO)C2)cc1C
InChIInChI=1S/C16H23NO3/c1-11-4-5-14(8-12(11)2)16(19)13(3)17-6-7-20-15(9-17)10-18/h4-5,8,13,15,18H,6-7,9-10H2,1-3H3
InChIKeyRAIYFGJKUOTETE-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 81204175) is 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is Cc1ccc(C(=O)C(C)N2CCOC(CO)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is RAIYFGJKUOTETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-4-5-14(8-12(11)2)16(19)13(3)17-6-7-20-15(9-17)10-18/h4-5,8,13,15,18H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 81204175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).