2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate

C14H20O3 — CID 78831089

IUPAC2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCCOC(C)C
InChIInChI=1S/C14H20O3/c1-11(2)16-8-9-17-14(15)10-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3
InChIKeyYWPKIEFHBDTJNA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.51
Rot. Bonds6

About 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate

2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate (PubChem CID 78831089) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
PubChem CID78831089
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCCOC(C)C
InChIInChI=1S/C14H20O3/c1-11(2)16-8-9-17-14(15)10-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3
InChIKeyYWPKIEFHBDTJNA-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
7-methyloctyl 2-(2-methylphenyl)acetate
CID 140794921
pent-3-ynyl 2-(2-methylphenyl)acetate
CID 75453317
3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate
CID 140788680
2-propan-2-yloxyethyl 3-(2,4-dimethylphenyl)propanoate
CID 78832911
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
CID 61308511
2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate
CID 106448277
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
CID 174951239
N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate?
The IUPAC name of 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate (CID 78831089) is 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate?
The InChIKey is YWPKIEFHBDTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(2)16-8-9-17-14(15)10-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate?
2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate has a molecular weight of 236.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate is sourced from PubChem (CID 78831089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).