carbonic acid;dimethoxy carbonate;phenol

C16H20O10 — CID 174717499

IUPACcarbonic acid;dimethoxy carbonate;phenol
SMILESCOOC(=O)OOC.O=C(O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C3H6O5.CH2O3/c2*7-6-4-2-1-3-5-6;1-5-7-3(4)8-6-2;2-1(3)4/h2*1-5,7H;1-2H3;(H2,2,3,4)
InChIKeyJKGKZZMVMYCRDO-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.27
Rot. Bonds2

About carbonic acid;dimethoxy carbonate;phenol

carbonic acid;dimethoxy carbonate;phenol (PubChem CID 174717499) has the molecular formula C16H20O10 and a molecular weight of 372.33 g/mol. Its IUPAC name is carbonic acid;dimethoxy carbonate;phenol.

Molecular Properties

Compound Namecarbonic acid;dimethoxy carbonate;phenol
PubChem CID174717499
Molecular FormulaC16H20O10
Molecular Weight372.33 g/mol
Exact Mass372.11
IUPAC Namecarbonic acid;dimethoxy carbonate;phenol
SMILESCOOC(=O)OOC.O=C(O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C3H6O5.CH2O3/c2*7-6-4-2-1-3-5-6;1-5-7-3(4)8-6-2;2-1(3)4/h2*1-5,7H;1-2H3;(H2,2,3,4)
InChIKeyJKGKZZMVMYCRDO-UHFFFAOYSA-N
XLogP3.27
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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molecular oxygen;phenol
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methyl hydrogen sulfate;phenol
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CID 87237620

Frequently Asked Questions

What is the IUPAC name of carbonic acid;dimethoxy carbonate;phenol?
The IUPAC name of carbonic acid;dimethoxy carbonate;phenol (CID 174717499) is carbonic acid;dimethoxy carbonate;phenol.
What is the SMILES notation for carbonic acid;dimethoxy carbonate;phenol?
The canonical SMILES for carbonic acid;dimethoxy carbonate;phenol is COOC(=O)OOC.O=C(O)O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of carbonic acid;dimethoxy carbonate;phenol?
The InChIKey is JKGKZZMVMYCRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.C3H6O5.CH2O3/c2*7-6-4-2-1-3-5-6;1-5-7-3(4)8-6-2;2-1(3)4/h2*1-5,7H;1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;dimethoxy carbonate;phenol?
carbonic acid;dimethoxy carbonate;phenol has a molecular weight of 372.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;dimethoxy carbonate;phenol is sourced from PubChem (CID 174717499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).