[4-(4-chlorophenoxy)phenyl] ethyl carbonate

C15H13ClO4 — CID 146594129

IUPAC[4-(4-chlorophenoxy)phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO4/c1-2-18-15(17)20-14-9-7-13(8-10-14)19-12-5-3-11(16)4-6-12/h3-10H,2H2,1H3
InChIKeyUTKOPZVOIVDXDG-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.67
Rot. Bonds4

About [4-(4-chlorophenoxy)phenyl] ethyl carbonate

[4-(4-chlorophenoxy)phenyl] ethyl carbonate (PubChem CID 146594129) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)phenyl] ethyl carbonate
PubChem CID146594129
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name[4-(4-chlorophenoxy)phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO4/c1-2-18-15(17)20-14-9-7-13(8-10-14)19-12-5-3-11(16)4-6-12/h3-10H,2H2,1H3
InChIKeyUTKOPZVOIVDXDG-UHFFFAOYSA-N
XLogP4.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 2-hydroxyethyl carbonate
CID 54130253
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
5-O-(4-chlorophenyl) 1-O-ethyl pentanedioate
CID 91718068
[4-[2-[2-(4-chlorophenoxy)propanoylamino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108929802
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
diethyl (E)-2-(4-chlorophenoxy)-3-hydroxybut-2-enedioate
CID 138567192
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
ethyl [4-(2-iodoacetyl)phenyl] carbonate
CID 89348035
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
ethyl (4-pentylphenyl) carbonate
CID 118690159
ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
CID 23213034
1,4-bis(4-chlorophenoxy)benzene
CID 10996522

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)phenyl] ethyl carbonate?
The IUPAC name of [4-(4-chlorophenoxy)phenyl] ethyl carbonate (CID 146594129) is [4-(4-chlorophenoxy)phenyl] ethyl carbonate.
What is the SMILES notation for [4-(4-chlorophenoxy)phenyl] ethyl carbonate?
The canonical SMILES for [4-(4-chlorophenoxy)phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-(4-chlorophenoxy)phenyl] ethyl carbonate?
The InChIKey is UTKOPZVOIVDXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-2-18-15(17)20-14-9-7-13(8-10-14)19-12-5-3-11(16)4-6-12/h3-10H,2H2,1H3.
What are the key properties of [4-(4-chlorophenoxy)phenyl] ethyl carbonate?
[4-(4-chlorophenoxy)phenyl] ethyl carbonate has a molecular weight of 292.72 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)phenyl] ethyl carbonate is sourced from PubChem (CID 146594129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).