[2-(2-methoxypropyl)phenyl] hydrogen carbonate

C11H14O4 — CID 90300699

IUPAC[2-(2-methoxypropyl)phenyl] hydrogen carbonate
SMILESCOC(C)Cc1ccccc1OC(=O)O
InChIInChI=1S/C11H14O4/c1-8(14-2)7-9-5-3-4-6-10(9)15-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyJAUNISYEEWFKQP-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.32
Rot. Bonds4

About [2-(2-methoxypropyl)phenyl] hydrogen carbonate

[2-(2-methoxypropyl)phenyl] hydrogen carbonate (PubChem CID 90300699) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is [2-(2-methoxypropyl)phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(2-methoxypropyl)phenyl] hydrogen carbonate
PubChem CID90300699
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name[2-(2-methoxypropyl)phenyl] hydrogen carbonate
SMILESCOC(C)Cc1ccccc1OC(=O)O
InChIInChI=1S/C11H14O4/c1-8(14-2)7-9-5-3-4-6-10(9)15-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyJAUNISYEEWFKQP-UHFFFAOYSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxypropyl)phenyl] hydrogen carbonate?
The IUPAC name of [2-(2-methoxypropyl)phenyl] hydrogen carbonate (CID 90300699) is [2-(2-methoxypropyl)phenyl] hydrogen carbonate.
What is the SMILES notation for [2-(2-methoxypropyl)phenyl] hydrogen carbonate?
The canonical SMILES for [2-(2-methoxypropyl)phenyl] hydrogen carbonate is COC(C)Cc1ccccc1OC(=O)O.
What is the InChIKey of [2-(2-methoxypropyl)phenyl] hydrogen carbonate?
The InChIKey is JAUNISYEEWFKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(14-2)7-9-5-3-4-6-10(9)15-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of [2-(2-methoxypropyl)phenyl] hydrogen carbonate?
[2-(2-methoxypropyl)phenyl] hydrogen carbonate has a molecular weight of 210.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxypropyl)phenyl] hydrogen carbonate is sourced from PubChem (CID 90300699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).