methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate

C11H13NO5 — CID 125474538

IUPACmethyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(OC(=O)N(C)C)c1
InChIInChI=1S/C11H13NO5/c1-12(2)11(15)17-9-6-7(10(14)16-3)4-5-8(9)13/h4-6,13H,1-3H3
InChIKeyJTQNWNGIJXSTES-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.24
Rot. Bonds2

About methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate

methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate (PubChem CID 125474538) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate
PubChem CID125474538
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(OC(=O)N(C)C)c1
InChIInChI=1S/C11H13NO5/c1-12(2)11(15)17-9-6-7(10(14)16-3)4-5-8(9)13/h4-6,13H,1-3H3
InChIKeyJTQNWNGIJXSTES-UHFFFAOYSA-N
XLogP1.24
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-3-(dimethylcarbamoyloxy)benzoate
CID 102226652
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 3-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-hydroxybenzoate
CID 11347717
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
[(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 59415691
(2-hydroxy-4-methoxyphenyl) N,N-dimethylcarbamate
CID 125485691
(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
CID 59397478
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
CID 141235728
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 4-amino-3-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 43380196
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate?
The IUPAC name of methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate (CID 125474538) is methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate?
The canonical SMILES for methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate is COC(=O)c1ccc(O)c(OC(=O)N(C)C)c1.
What is the InChIKey of methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate?
The InChIKey is JTQNWNGIJXSTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-12(2)11(15)17-9-6-7(10(14)16-3)4-5-8(9)13/h4-6,13H,1-3H3.
What are the key properties of methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate?
methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate has a molecular weight of 239.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylcarbamoyloxy)-4-hydroxybenzoate is sourced from PubChem (CID 125474538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).