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

C10H12O5 — CID 87860569

IUPAC(2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate
SMILESCOc1cc(C)c(OC(=O)O)c(O)c1C
InChIInChI=1S/C10H12O5/c1-5-4-7(14-3)6(2)8(11)9(5)15-10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyOLRUERFUWKXOMF-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.07
Rot. Bonds2

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

(2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate (PubChem CID 87860569) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate
PubChem CID87860569
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate
SMILESCOc1cc(C)c(OC(=O)O)c(O)c1C
InChIInChI=1S/C10H12O5/c1-5-4-7(14-3)6(2)8(11)9(5)15-10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyOLRUERFUWKXOMF-UHFFFAOYSA-N
XLogP2.07
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117321884
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
(2-hydroxy-3,4,5,6-tetramethylphenyl) hydrogen carbonate
CID 87859849
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
(E)-3-(2,5-dimethoxy-3,6-dimethylphenyl)prop-2-enoic acid
CID 15125086
ethyl 2-hydroxy-2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)acetate
CID 117388878
(4,5-dibromo-2-hydroxy-3,6-dimethylphenyl) hydrogen carbonate
CID 87859965
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
3-hydroxy-5-methoxy-4-methylphthalaldehyde
CID 86129442

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate?
The IUPAC name of (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate (CID 87860569) is (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate.
What is the SMILES notation for (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate?
The canonical SMILES for (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate is COc1cc(C)c(OC(=O)O)c(O)c1C.
What is the InChIKey of (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate?
The InChIKey is OLRUERFUWKXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-5-4-7(14-3)6(2)8(11)9(5)15-10(12)13/h4,11H,1-3H3,(H,12,13).
What are the key properties of (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate?
(2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate has a molecular weight of 212.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate is sourced from PubChem (CID 87860569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).