methyl phenyl carbonate

C8H7O3- — CID 101152572

IUPACmethyl phenyl carbonate
SMILESCOC(=O)Oc1[c-]cccc1
InChIInChI=1S/C8H7O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-5H,1H3/q-1
InChIKeyOBORJWYQVMMLAZ-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.63
Rot. Bonds1

About methyl phenyl carbonate

methyl phenyl carbonate (PubChem CID 101152572) has the molecular formula C8H7O3- and a molecular weight of 151.14 g/mol. Its IUPAC name is methyl phenyl carbonate.

Molecular Properties

Compound Namemethyl phenyl carbonate
PubChem CID101152572
Molecular FormulaC8H7O3-
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Namemethyl phenyl carbonate
SMILESCOC(=O)Oc1[c-]cccc1
InChIInChI=1S/C8H7O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-5H,1H3/q-1
InChIKeyOBORJWYQVMMLAZ-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl phenyl carbonate?
The IUPAC name of methyl phenyl carbonate (CID 101152572) is methyl phenyl carbonate.
What is the SMILES notation for methyl phenyl carbonate?
The canonical SMILES for methyl phenyl carbonate is COC(=O)Oc1[c-]cccc1.
What is the InChIKey of methyl phenyl carbonate?
The InChIKey is OBORJWYQVMMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-5H,1H3/q-1.
What are the key properties of methyl phenyl carbonate?
methyl phenyl carbonate has a molecular weight of 151.14 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl phenyl carbonate is sourced from PubChem (CID 101152572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).