methyl hydrogen carbonate;2-phenylphenol

C14H14O4 — CID 67829227

IUPACmethyl hydrogen carbonate;2-phenylphenol
SMILESCOC(=O)O.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.C2H4O3/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5-2(3)4/h1-9,13H;1H3,(H,3,4)
InChIKeyOFUDCOJZOKNPNU-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.37
Rot. Bonds1

About methyl hydrogen carbonate;2-phenylphenol

methyl hydrogen carbonate;2-phenylphenol (PubChem CID 67829227) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl hydrogen carbonate;2-phenylphenol.

Molecular Properties

Compound Namemethyl hydrogen carbonate;2-phenylphenol
PubChem CID67829227
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namemethyl hydrogen carbonate;2-phenylphenol
SMILESCOC(=O)O.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.C2H4O3/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5-2(3)4/h1-9,13H;1H3,(H,3,4)
InChIKeyOFUDCOJZOKNPNU-UHFFFAOYSA-N
XLogP3.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate;2-phenylphenol?
The IUPAC name of methyl hydrogen carbonate;2-phenylphenol (CID 67829227) is methyl hydrogen carbonate;2-phenylphenol.
What is the SMILES notation for methyl hydrogen carbonate;2-phenylphenol?
The canonical SMILES for methyl hydrogen carbonate;2-phenylphenol is COC(=O)O.Oc1ccccc1-c1ccccc1.
What is the InChIKey of methyl hydrogen carbonate;2-phenylphenol?
The InChIKey is OFUDCOJZOKNPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C2H4O3/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5-2(3)4/h1-9,13H;1H3,(H,3,4).
What are the key properties of methyl hydrogen carbonate;2-phenylphenol?
methyl hydrogen carbonate;2-phenylphenol has a molecular weight of 246.26 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate;2-phenylphenol is sourced from PubChem (CID 67829227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).