3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide

C17H19NO3 — CID 109416412

IUPAC3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide
SMILESCc1ccc(C(O)COc2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C17H19NO3/c1-11-3-6-13(7-4-11)15(19)10-21-16-9-14(17(18)20)8-5-12(16)2/h3-9,15,19H,10H2,1-2H3,(H2,18,20)
InChIKeyHAFDREFYKPGYPI-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.51
Rot. Bonds5

About 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide

3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide (PubChem CID 109416412) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide.

Molecular Properties

Compound Name3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide
PubChem CID109416412
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide
SMILESCc1ccc(C(O)COc2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C17H19NO3/c1-11-3-6-13(7-4-11)15(19)10-21-16-9-14(17(18)20)8-5-12(16)2/h3-9,15,19H,10H2,1-2H3,(H2,18,20)
InChIKeyHAFDREFYKPGYPI-UHFFFAOYSA-N
XLogP2.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanol
CID 63466297
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
CID 109416246
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
3-(3-amino-2-methyl-3-oxopropoxy)-4-methylbenzoic acid
CID 61379968
3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
CID 109416258
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
4-(1-hydroxypropyl)benzamide
CID 118219631
3-(2,5-dimethylphenoxy)-2-methylpropanoic acid
CID 43537634

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide?
The IUPAC name of 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide (CID 109416412) is 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide.
What is the SMILES notation for 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide?
The canonical SMILES for 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide is Cc1ccc(C(O)COc2cc(C(N)=O)ccc2C)cc1.
What is the InChIKey of 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide?
The InChIKey is HAFDREFYKPGYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-3-6-13(7-4-11)15(19)10-21-16-9-14(17(18)20)8-5-12(16)2/h3-9,15,19H,10H2,1-2H3,(H2,18,20).
What are the key properties of 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide?
3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide is sourced from PubChem (CID 109416412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).