ethyl (5-methyl-2-propan-2-ylphenyl) carbonate

C13H18O3 — CID 162444144

IUPACethyl (5-methyl-2-propan-2-ylphenyl) carbonate
SMILESCCOC(=O)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C13H18O3/c1-5-15-13(14)16-12-8-10(4)6-7-11(12)9(2)3/h6-9H,5H2,1-4H3
InChIKeyBXRHIZHEOPDBIN-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.65
Rot. Bonds3

About ethyl (5-methyl-2-propan-2-ylphenyl) carbonate

ethyl (5-methyl-2-propan-2-ylphenyl) carbonate (PubChem CID 162444144) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl (5-methyl-2-propan-2-ylphenyl) carbonate.

Molecular Properties

Compound Nameethyl (5-methyl-2-propan-2-ylphenyl) carbonate
PubChem CID162444144
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl (5-methyl-2-propan-2-ylphenyl) carbonate
SMILESCCOC(=O)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C13H18O3/c1-5-15-13(14)16-12-8-10(4)6-7-11(12)9(2)3/h6-9H,5H2,1-4H3
InChIKeyBXRHIZHEOPDBIN-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.65
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

2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
(5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate
CID 24862589
(5-methyl-2-propan-2-ylphenyl) 2,2-dimethylcyclopropane-1-carboxylate
CID 137492386
(5-methyl-2-propan-2-ylphenyl) 4-methoxybutanoate
CID 78894828
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
ethyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 133162806
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
(3,5-dimethylphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 680450
(5-methyl-2-propan-2-ylphenyl) 2-(2H-tetrazol-5-yl)acetate
CID 142678181
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963

Frequently Asked Questions

What is the IUPAC name of ethyl (5-methyl-2-propan-2-ylphenyl) carbonate?
The IUPAC name of ethyl (5-methyl-2-propan-2-ylphenyl) carbonate (CID 162444144) is ethyl (5-methyl-2-propan-2-ylphenyl) carbonate.
What is the SMILES notation for ethyl (5-methyl-2-propan-2-ylphenyl) carbonate?
The canonical SMILES for ethyl (5-methyl-2-propan-2-ylphenyl) carbonate is CCOC(=O)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of ethyl (5-methyl-2-propan-2-ylphenyl) carbonate?
The InChIKey is BXRHIZHEOPDBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-5-15-13(14)16-12-8-10(4)6-7-11(12)9(2)3/h6-9H,5H2,1-4H3.
What are the key properties of ethyl (5-methyl-2-propan-2-ylphenyl) carbonate?
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate has a molecular weight of 222.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5-methyl-2-propan-2-ylphenyl) carbonate is sourced from PubChem (CID 162444144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).