1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

C16H23NO3 — CID 81204702

IUPAC1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N2CCOC(CO)C2)cc1
InChIInChI=1S/C16H23NO3/c1-3-13-4-6-14(7-5-13)16(19)12(2)17-8-9-20-15(10-17)11-18/h4-7,12,15,18H,3,8-11H2,1-2H3
InChIKeyPCWGQFJYAAKSMQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.51
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 81204702) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID81204702
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N2CCOC(CO)C2)cc1
InChIInChI=1S/C16H23NO3/c1-3-13-4-6-14(7-5-13)16(19)12(2)17-8-9-20-15(10-17)11-18/h4-7,12,15,18H,3,8-11H2,1-2H3
InChIKeyPCWGQFJYAAKSMQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 43794581
1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204175
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]morpholine-2-carbonitrile
CID 79674302
5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 81204459
2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
CID 81204253
2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 43228442
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
CID 43796552
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
CID 79083918

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 81204702) is 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is CCc1ccc(C(=O)C(C)N2CCOC(CO)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is PCWGQFJYAAKSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-13-4-6-14(7-5-13)16(19)12(2)17-8-9-20-15(10-17)11-18/h4-7,12,15,18H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 81204702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).