(2,4-dimethylphenyl) 2-methoxyethyl carbonate

C12H16O4 — CID 118088611

IUPAC(2,4-dimethylphenyl) 2-methoxyethyl carbonate
SMILESCOCCOC(=O)Oc1ccc(C)cc1C
InChIInChI=1S/C12H16O4/c1-9-4-5-11(10(2)8-9)16-12(13)15-7-6-14-3/h4-5,8H,6-7H2,1-3H3
InChIKeyUVBSFVBVQFTBRR-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.47
Rot. Bonds4

About (2,4-dimethylphenyl) 2-methoxyethyl carbonate

(2,4-dimethylphenyl) 2-methoxyethyl carbonate (PubChem CID 118088611) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2,4-dimethylphenyl) 2-methoxyethyl carbonate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) 2-methoxyethyl carbonate
PubChem CID118088611
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(2,4-dimethylphenyl) 2-methoxyethyl carbonate
SMILESCOCCOC(=O)Oc1ccc(C)cc1C
InChIInChI=1S/C12H16O4/c1-9-4-5-11(10(2)8-9)16-12(13)15-7-6-14-3/h4-5,8H,6-7H2,1-3H3
InChIKeyUVBSFVBVQFTBRR-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate
CID 118088602
(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
CID 91694190
(2,4-dimethylphenyl) 3-aminopropanoate
CID 82112021
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
(2,4-dimethylphenyl) 2-methylbutanoate
CID 20826576
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221
(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate
CID 83822855
(2-amino-4-methylphenyl) methyl carbonate
CID 130705115
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672
bis(2,4-dimethylphenoxy)methanethione
CID 134916963
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
(2,4-dimethylphenyl) 3-(methoxymethyl)benzoate
CID 55383167

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) 2-methoxyethyl carbonate?
The IUPAC name of (2,4-dimethylphenyl) 2-methoxyethyl carbonate (CID 118088611) is (2,4-dimethylphenyl) 2-methoxyethyl carbonate.
What is the SMILES notation for (2,4-dimethylphenyl) 2-methoxyethyl carbonate?
The canonical SMILES for (2,4-dimethylphenyl) 2-methoxyethyl carbonate is COCCOC(=O)Oc1ccc(C)cc1C.
What is the InChIKey of (2,4-dimethylphenyl) 2-methoxyethyl carbonate?
The InChIKey is UVBSFVBVQFTBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-9-4-5-11(10(2)8-9)16-12(13)15-7-6-14-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl) 2-methoxyethyl carbonate?
(2,4-dimethylphenyl) 2-methoxyethyl carbonate has a molecular weight of 224.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) 2-methoxyethyl carbonate is sourced from PubChem (CID 118088611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).