methyl 4-propan-2-yloxybenzoate

C11H14O3 — CID 3015807

IUPACmethyl 4-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C11H14O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h4-8H,1-3H3
InChIKeyROEMZKPINYTSKV-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.26
Rot. Bonds3

About methyl 4-propan-2-yloxybenzoate

methyl 4-propan-2-yloxybenzoate (PubChem CID 3015807) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 4-propan-2-yloxybenzoate
PubChem CID3015807
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 4-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C11H14O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h4-8H,1-3H3
InChIKeyROEMZKPINYTSKV-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
Benzyl 4-Hydroxybenzoate
CID 7180
4'-Methoxyacetophenone
CID 7476
4-Methoxybenzaldehyde
CID 31244
1'-Acetoxychavicol Acetate
CID 119104
Heptyl p-hydroxybenzoate
CID 14138
Methyl anisate
CID 8499
4-Methoxybenzoic Acid
CID 7478
Phenyl benzoate
CID 7169

Frequently Asked Questions

What is the IUPAC name of methyl 4-propan-2-yloxybenzoate?
The IUPAC name of methyl 4-propan-2-yloxybenzoate (CID 3015807) is methyl 4-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 4-propan-2-yloxybenzoate?
The canonical SMILES for methyl 4-propan-2-yloxybenzoate is COC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of methyl 4-propan-2-yloxybenzoate?
The InChIKey is ROEMZKPINYTSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h4-8H,1-3H3.
What are the key properties of methyl 4-propan-2-yloxybenzoate?
methyl 4-propan-2-yloxybenzoate has a molecular weight of 194.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propan-2-yloxybenzoate is sourced from PubChem (CID 3015807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).