1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone

C14H21NO3 — CID 22666328

IUPAC1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(CCOCCN(C)C)ccc1O
InChIInChI=1S/C14H21NO3/c1-11(16)13-10-12(4-5-14(13)17)6-8-18-9-7-15(2)3/h4-5,10,17H,6-9H2,1-3H3
InChIKeyNVZVYNWOOLAJOJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.72
Rot. Bonds7

About 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone

1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone (PubChem CID 22666328) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone
PubChem CID22666328
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(CCOCCN(C)C)ccc1O
InChIInChI=1S/C14H21NO3/c1-11(16)13-10-12(4-5-14(13)17)6-8-18-9-7-15(2)3/h4-5,10,17H,6-9H2,1-3H3
InChIKeyNVZVYNWOOLAJOJ-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-5-(2-methoxyethoxymethyl)phenyl]ethanone
CID 19045307
N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide
CID 19045459
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71442477
ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone
CID 90829801
1-[2-hydroxy-5-(2-methoxyethyl)phenyl]-3-methylbut-2-en-1-one
CID 91508709
1-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 70901994
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 91044178
1-[2-hydroxy-5-(2-methoxyethyl)phenyl]butan-1-one
CID 62380490
ethyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoate
CID 54333119
[acetyloxy-[2-(3,4-dihydroxyphenyl)ethyl]amino] acetate
CID 20530619

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone (CID 22666328) is 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone is CC(=O)c1cc(CCOCCN(C)C)ccc1O.
What is the InChIKey of 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone?
The InChIKey is NVZVYNWOOLAJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(16)13-10-12(4-5-14(13)17)6-8-18-9-7-15(2)3/h4-5,10,17H,6-9H2,1-3H3.
What are the key properties of 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone?
1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 22666328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).