2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide

C12H17NO3 — CID 112612351

IUPAC2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
SMILESCc1cccc(CO)c1OCC(=O)N(C)C
InChIInChI=1S/C12H17NO3/c1-9-5-4-6-10(7-14)12(9)16-8-11(15)13(2)3/h4-6,14H,7-8H2,1-3H3
InChIKeyFCOFUVCNONZLMK-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide

2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide (PubChem CID 112612351) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
PubChem CID112612351
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
SMILESCc1cccc(CO)c1OCC(=O)N(C)C
InChIInChI=1S/C12H17NO3/c1-9-5-4-6-10(7-14)12(9)16-8-11(15)13(2)3/h4-6,14H,7-8H2,1-3H3
InChIKeyFCOFUVCNONZLMK-UHFFFAOYSA-N
XLogP0.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide
CID 115956208
2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115952627
[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol
CID 106726317
1,1,1-trifluoro-3-[2-(hydroxymethyl)-6-methylphenoxy]propan-2-ol
CID 112612406
N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide
CID 112608394
[2-[(2R)-2-aminopropoxy]-3-methylphenyl]methanol;oxalic acid
CID 171380777
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
(2-decoxy-3-methylphenyl)methanol
CID 115956202
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide (CID 112612351) is 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide is Cc1cccc(CO)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide?
The InChIKey is FCOFUVCNONZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-5-4-6-10(7-14)12(9)16-8-11(15)13(2)3/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide?
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide has a molecular weight of 223.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 112612351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).