(3,4-dimethylphenyl) ethyl carbonate

C11H14O3 — CID 19704470

IUPAC(3,4-dimethylphenyl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C)c(C)c1
InChIInChI=1S/C11H14O3/c1-4-13-11(12)14-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
InChIKeyLTUDZODJPQWCCS-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.84
Rot. Bonds2

About (3,4-dimethylphenyl) ethyl carbonate

(3,4-dimethylphenyl) ethyl carbonate (PubChem CID 19704470) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3,4-dimethylphenyl) ethyl carbonate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) ethyl carbonate
PubChem CID19704470
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3,4-dimethylphenyl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C)c(C)c1
InChIInChI=1S/C11H14O3/c1-4-13-11(12)14-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
InChIKeyLTUDZODJPQWCCS-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-ethyl-3-methylphenyl) carbonate
CID 89437335
ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate
CID 90023726
1-O-(3,4-dimethylphenyl) 5-O-ethyl 2,2,3,3,4,4-hexafluoropentanedioate
CID 6422528
[4-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propylcarbamoyl]phenyl] ethyl carbonate
CID 108932305
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
(3,4-dimethylphenyl) octanoate
CID 91711444
ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
CID 115002230
ethyl [4-(2-iodoacetyl)phenyl] carbonate
CID 89348035
4-O-(3,4-dimethylphenyl) 1-O-hexadecyl (E)-but-2-enedioate
CID 91711218
4-O-(3,4-dimethylphenyl) 1-O-heptyl (E)-but-2-enedioate
CID 91711228
(3,4-dimethylphenyl) N-(3-hydroxypropyl)carbamate
CID 116819687

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) ethyl carbonate?
The IUPAC name of (3,4-dimethylphenyl) ethyl carbonate (CID 19704470) is (3,4-dimethylphenyl) ethyl carbonate.
What is the SMILES notation for (3,4-dimethylphenyl) ethyl carbonate?
The canonical SMILES for (3,4-dimethylphenyl) ethyl carbonate is CCOC(=O)Oc1ccc(C)c(C)c1.
What is the InChIKey of (3,4-dimethylphenyl) ethyl carbonate?
The InChIKey is LTUDZODJPQWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-13-11(12)14-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl) ethyl carbonate?
(3,4-dimethylphenyl) ethyl carbonate has a molecular weight of 194.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) ethyl carbonate is sourced from PubChem (CID 19704470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).