1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone

C18H20O3 — CID 107712866

IUPAC1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
SMILESCc1ccc(C(=O)COc2ccccc2CCO)cc1C
InChIInChI=1S/C18H20O3/c1-13-7-8-16(11-14(13)2)17(20)12-21-18-6-4-3-5-15(18)9-10-19/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyIMHDZBXGYOEHCR-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.10
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone

1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone (PubChem CID 107712866) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
PubChem CID107712866
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
SMILESCc1ccc(C(=O)COc2ccccc2CCO)cc1C
InChIInChI=1S/C18H20O3/c1-13-7-8-16(11-14(13)2)17(20)12-21-18-6-4-3-5-15(18)9-10-19/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyIMHDZBXGYOEHCR-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712874
1-(2-chlorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712924
1-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712927
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 9473896
2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 60624093
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 23826491
2-chloro-6-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 114323709
2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
CID 62030602
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
2-[2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2918060

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone (CID 107712866) is 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone is Cc1ccc(C(=O)COc2ccccc2CCO)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone?
The InChIKey is IMHDZBXGYOEHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13-7-8-16(11-14(13)2)17(20)12-21-18-6-4-3-5-15(18)9-10-19/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone?
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone has a molecular weight of 284.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone is sourced from PubChem (CID 107712866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).