ethyl [4-(2-hydroxyethyl)phenyl] carbonate

C11H14O4 — CID 121224839

IUPACethyl [4-(2-hydroxyethyl)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(CCO)cc1
InChIInChI=1S/C11H14O4/c1-2-14-11(13)15-10-5-3-9(4-6-10)7-8-12/h3-6,12H,2,7-8H2,1H3
InChIKeyCMSYCKGAIBGQGB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.76
Rot. Bonds4

About ethyl [4-(2-hydroxyethyl)phenyl] carbonate

ethyl [4-(2-hydroxyethyl)phenyl] carbonate (PubChem CID 121224839) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl [4-(2-hydroxyethyl)phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-(2-hydroxyethyl)phenyl] carbonate
PubChem CID121224839
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl [4-(2-hydroxyethyl)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(CCO)cc1
InChIInChI=1S/C11H14O4/c1-2-14-11(13)15-10-5-3-9(4-6-10)7-8-12/h3-6,12H,2,7-8H2,1H3
InChIKeyCMSYCKGAIBGQGB-UHFFFAOYSA-N
XLogP1.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4-pentylphenyl) carbonate
CID 118690159
ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
CID 23213034
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
butyl (4-decylphenyl) carbonate
CID 118690266
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
ethyl [4-(2-iodoacetyl)phenyl] carbonate
CID 89348035
(4-decylphenyl) heptyl carbonate
CID 118690290
[4-[2-(4-methylphenoxy)carbonyloxyethyl]phenyl] acetate
CID 122492472
ethyl 2-[4-(2-hydroxyethyl)phenyl]sulfonylacetate
CID 142427700
ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate
CID 107709953

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(2-hydroxyethyl)phenyl] carbonate?
The IUPAC name of ethyl [4-(2-hydroxyethyl)phenyl] carbonate (CID 121224839) is ethyl [4-(2-hydroxyethyl)phenyl] carbonate.
What is the SMILES notation for ethyl [4-(2-hydroxyethyl)phenyl] carbonate?
The canonical SMILES for ethyl [4-(2-hydroxyethyl)phenyl] carbonate is CCOC(=O)Oc1ccc(CCO)cc1.
What is the InChIKey of ethyl [4-(2-hydroxyethyl)phenyl] carbonate?
The InChIKey is CMSYCKGAIBGQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-14-11(13)15-10-5-3-9(4-6-10)7-8-12/h3-6,12H,2,7-8H2,1H3.
What are the key properties of ethyl [4-(2-hydroxyethyl)phenyl] carbonate?
ethyl [4-(2-hydroxyethyl)phenyl] carbonate has a molecular weight of 210.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(2-hydroxyethyl)phenyl] carbonate is sourced from PubChem (CID 121224839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).