dimethyl carbonate;methanol;methyl phenyl carbonate;phenol

C18H24O8 — CID 158199044

IUPACdimethyl carbonate;methanol;methyl phenyl carbonate;phenol
SMILESCO.COC(=O)OC.COC(=O)Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H8O3.C6H6O.C3H6O3.CH4O/c1-10-8(9)11-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;1-5-3(4)6-2;1-2/h2-6H,1H3;1-5,7H;1-2H3;2H,1H3
InChIKeyGARZNDRXBWOIJQ-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.23
Rot. Bonds1

About dimethyl carbonate;methanol;methyl phenyl carbonate;phenol

dimethyl carbonate;methanol;methyl phenyl carbonate;phenol (PubChem CID 158199044) has the molecular formula C18H24O8 and a molecular weight of 368.38 g/mol. Its IUPAC name is dimethyl carbonate;methanol;methyl phenyl carbonate;phenol.

Molecular Properties

Compound Namedimethyl carbonate;methanol;methyl phenyl carbonate;phenol
PubChem CID158199044
Molecular FormulaC18H24O8
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Namedimethyl carbonate;methanol;methyl phenyl carbonate;phenol
SMILESCO.COC(=O)OC.COC(=O)Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H8O3.C6H6O.C3H6O3.CH4O/c1-10-8(9)11-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;1-5-3(4)6-2;1-2/h2-6H,1H3;1-5,7H;1-2H3;2H,1H3
InChIKeyGARZNDRXBWOIJQ-UHFFFAOYSA-N
XLogP3.23
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
methyl (4-phenoxyphenyl) carbonate
CID 19704468
phenol;phenyl hydrogen carbonate
CID 23470013
methyl hydrogen carbonate;phenol
CID 126664263
dibenzofuran;methyl phenyl carbonate
CID 158446922
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
phenyl (2S)-2-methoxypropanoate
CID 12621314
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
carbonic acid;dimethoxy carbonate;phenol
CID 174717499
phenol;N-phenoxyacetamide
CID 174815044

Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;methanol;methyl phenyl carbonate;phenol?
The IUPAC name of dimethyl carbonate;methanol;methyl phenyl carbonate;phenol (CID 158199044) is dimethyl carbonate;methanol;methyl phenyl carbonate;phenol.
What is the SMILES notation for dimethyl carbonate;methanol;methyl phenyl carbonate;phenol?
The canonical SMILES for dimethyl carbonate;methanol;methyl phenyl carbonate;phenol is CO.COC(=O)OC.COC(=O)Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of dimethyl carbonate;methanol;methyl phenyl carbonate;phenol?
The InChIKey is GARZNDRXBWOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C6H6O.C3H6O3.CH4O/c1-10-8(9)11-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;1-5-3(4)6-2;1-2/h2-6H,1H3;1-5,7H;1-2H3;2H,1H3.
What are the key properties of dimethyl carbonate;methanol;methyl phenyl carbonate;phenol?
dimethyl carbonate;methanol;methyl phenyl carbonate;phenol has a molecular weight of 368.38 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;methanol;methyl phenyl carbonate;phenol is sourced from PubChem (CID 158199044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).