(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate

C13H19NO3 — CID 135067853

IUPAC(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(O)ccc(C)c1C
InChIInChI=1S/C13H19NO3/c1-5-14(6-2)13(16)17-12-10(4)9(3)7-8-11(12)15/h7-8,15H,5-6H2,1-4H3
InChIKeyCUASKZOWHDEYHA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.85
Rot. Bonds3

About (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate

(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate (PubChem CID 135067853) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate
PubChem CID135067853
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(O)ccc(C)c1C
InChIInChI=1S/C13H19NO3/c1-5-14(6-2)13(16)17-12-10(4)9(3)7-8-11(12)15/h7-8,15H,5-6H2,1-4H3
InChIKeyCUASKZOWHDEYHA-UHFFFAOYSA-N
XLogP2.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate?
The IUPAC name of (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate (CID 135067853) is (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate?
The canonical SMILES for (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1c(O)ccc(C)c1C.
What is the InChIKey of (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate?
The InChIKey is CUASKZOWHDEYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-14(6-2)13(16)17-12-10(4)9(3)7-8-11(12)15/h7-8,15H,5-6H2,1-4H3.
What are the key properties of (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate?
(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 135067853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).