ethyl 1-phenoxyethyl carbonate

C11H14O4 — CID 173360681

IUPACethyl 1-phenoxyethyl carbonate
SMILESCCOC(=O)OC(C)Oc1ccccc1
InChIInChI=1S/C11H14O4/c1-3-13-11(12)15-9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyRKYGCWUNSNTGBB-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.58
Rot. Bonds4

About ethyl 1-phenoxyethyl carbonate

ethyl 1-phenoxyethyl carbonate (PubChem CID 173360681) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 1-phenoxyethyl carbonate.

Molecular Properties

Compound Nameethyl 1-phenoxyethyl carbonate
PubChem CID173360681
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 1-phenoxyethyl carbonate
SMILESCCOC(=O)OC(C)Oc1ccccc1
InChIInChI=1S/C11H14O4/c1-3-13-11(12)15-9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyRKYGCWUNSNTGBB-UHFFFAOYSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenoxyethoxycarbonyloxy 1-phenoxyethyl carbonate
CID 88732415
(E)-2-methyl-3-(1-phenoxyethoxy)pent-2-enoic acid
CID 66602393
1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
CID 20550277
anisole;ethyl 2-methylpropanoate
CID 177064087
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
diethyl 2-phenoxybutanedioate
CID 72766015
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
3-methyl-2-phenoxypentanamide
CID 173059765
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
CID 23243327
2-phenoxypropanoic acid;hydrofluoride
CID 161153787

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenoxyethyl carbonate?
The IUPAC name of ethyl 1-phenoxyethyl carbonate (CID 173360681) is ethyl 1-phenoxyethyl carbonate.
What is the SMILES notation for ethyl 1-phenoxyethyl carbonate?
The canonical SMILES for ethyl 1-phenoxyethyl carbonate is CCOC(=O)OC(C)Oc1ccccc1.
What is the InChIKey of ethyl 1-phenoxyethyl carbonate?
The InChIKey is RKYGCWUNSNTGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-13-11(12)15-9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 1-phenoxyethyl carbonate?
ethyl 1-phenoxyethyl carbonate has a molecular weight of 210.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenoxyethyl carbonate is sourced from PubChem (CID 173360681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).