2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide

C12H16ClNO4 — CID 28898382

IUPAC2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(CO)cc(Cl)c1OCC(=O)N(C)C
InChIInChI=1S/C12H16ClNO4/c1-14(2)11(16)7-18-12-9(13)4-8(6-15)5-10(12)17-3/h4-5,15H,6-7H2,1-3H3
InChIKeyFZBSCMNMDPWVID-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.31
Rot. Bonds5

About 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide

2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide (PubChem CID 28898382) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
PubChem CID28898382
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(CO)cc(Cl)c1OCC(=O)N(C)C
InChIInChI=1S/C12H16ClNO4/c1-14(2)11(16)7-18-12-9(13)4-8(6-15)5-10(12)17-3/h4-5,15H,6-7H2,1-3H3
InChIKeyFZBSCMNMDPWVID-UHFFFAOYSA-N
XLogP1.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43276554
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 28898320
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
CID 114459550
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
2-[4-[[azetidin-3-yl(methyl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 66186821
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide (CID 28898382) is 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide is COc1cc(CO)cc(Cl)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The InChIKey is FZBSCMNMDPWVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-14(2)11(16)7-18-12-9(13)4-8(6-15)5-10(12)17-3/h4-5,15H,6-7H2,1-3H3.
What are the key properties of 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide has a molecular weight of 273.72 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 28898382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).