methyl hydrogen carbonate;phenol

C8H10O4 — CID 126664263

IUPACmethyl hydrogen carbonate;phenol
SMILESCOC(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4O3/c7-6-4-2-1-3-5-6;1-5-2(3)4/h1-5,7H;1H3,(H,3,4)
InChIKeyFVWFFNTTWYSUHB-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.70
Rot. Bonds

About methyl hydrogen carbonate;phenol

methyl hydrogen carbonate;phenol (PubChem CID 126664263) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl hydrogen carbonate;phenol.

Molecular Properties

Compound Namemethyl hydrogen carbonate;phenol
PubChem CID126664263
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl hydrogen carbonate;phenol
SMILESCOC(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4O3/c7-6-4-2-1-3-5-6;1-5-2(3)4/h1-5,7H;1H3,(H,3,4)
InChIKeyFVWFFNTTWYSUHB-UHFFFAOYSA-N
XLogP1.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate;phenol?
The IUPAC name of methyl hydrogen carbonate;phenol (CID 126664263) is methyl hydrogen carbonate;phenol.
What is the SMILES notation for methyl hydrogen carbonate;phenol?
The canonical SMILES for methyl hydrogen carbonate;phenol is COC(=O)O.Oc1ccccc1.
What is the InChIKey of methyl hydrogen carbonate;phenol?
The InChIKey is FVWFFNTTWYSUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H4O3/c7-6-4-2-1-3-5-6;1-5-2(3)4/h1-5,7H;1H3,(H,3,4).
What are the key properties of methyl hydrogen carbonate;phenol?
methyl hydrogen carbonate;phenol has a molecular weight of 170.16 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate;phenol is sourced from PubChem (CID 126664263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).