(2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate

C13H18O6 — CID 87859446

IUPAC(2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate
SMILESCCOc1c(C)c(C)c(O)c(OC(=O)O)c1OCC
InChIInChI=1S/C13H18O6/c1-5-17-10-8(4)7(3)9(14)11(19-13(15)16)12(10)18-6-2/h14H,5-6H2,1-4H3,(H,15,16)
InChIKeyZXFNTVSGVYLTMU-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.86
Rot. Bonds5

About (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate

(2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate (PubChem CID 87859446) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate
PubChem CID87859446
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name(2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate
SMILESCCOc1c(C)c(C)c(O)c(OC(=O)O)c1OCC
InChIInChI=1S/C13H18O6/c1-5-17-10-8(4)7(3)9(14)11(19-13(15)16)12(10)18-6-2/h14H,5-6H2,1-4H3,(H,15,16)
InChIKeyZXFNTVSGVYLTMU-UHFFFAOYSA-N
XLogP2.86
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-3,4,5,6-tetramethylphenyl) hydrogen carbonate
CID 87859849
(2,3-diethoxy-6-hydroxy-4,5-dioctylphenyl) hydrogen carbonate
CID 87860048
(3,4,5-triethoxy-2-hydroxy-6-propylphenyl) hydrogen carbonate
CID 87860580
1,2,3,4,5-pentaethoxy-6-methylbenzene
CID 173439159
[2-hydroxy-6-methyl-3,4,5-tri(nonoxy)phenyl] hydrogen carbonate
CID 87859293
2,3,4,5-tetraethoxy-6-hydroxybenzoic acid
CID 87861005
(4,5-dibromo-2-hydroxy-3,6-dimethylphenyl) hydrogen carbonate
CID 87859965
(5-tert-butyl-2-ethoxy-4-hydroxy-3-methylphenyl) propanoate
CID 174931338
(2-butoxy-3,4,5-tributyl-6-hydroxyphenyl) hydrogen carbonate
CID 87859329
2,3,4-triethoxy-5,6-dihydroxybenzoic acid
CID 87861037
(2-hydroxy-6-propoxy-3,4,5-tripropylphenyl) hydrogen carbonate
CID 87859536
4-ethoxy-5-ethyl-2,3-dimethylphenol
CID 162375138

Frequently Asked Questions

What is the IUPAC name of (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate?
The IUPAC name of (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate (CID 87859446) is (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate.
What is the SMILES notation for (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate?
The canonical SMILES for (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate is CCOc1c(C)c(C)c(O)c(OC(=O)O)c1OCC.
What is the InChIKey of (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate?
The InChIKey is ZXFNTVSGVYLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-5-17-10-8(4)7(3)9(14)11(19-13(15)16)12(10)18-6-2/h14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate?
(2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate has a molecular weight of 270.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate is sourced from PubChem (CID 87859446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).