(2-methoxyphenyl) 2-methylpropanoate

C11H14O3 — CID 836904

IUPAC(2-methoxyphenyl) 2-methylpropanoate
SMILESCOc1ccccc1OC(=O)C(C)C
InChIInChI=1S/C11H14O3/c1-8(2)11(12)14-10-7-5-4-6-9(10)13-3/h4-8H,1-3H3
InChIKeyYXJFCJJDNPANPU-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.26
Rot. Bonds3

About (2-methoxyphenyl) 2-methylpropanoate

(2-methoxyphenyl) 2-methylpropanoate (PubChem CID 836904) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-methylpropanoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-methylpropanoate
PubChem CID836904
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2-methoxyphenyl) 2-methylpropanoate
SMILESCOc1ccccc1OC(=O)C(C)C
InChIInChI=1S/C11H14O3/c1-8(2)11(12)14-10-7-5-4-6-9(10)13-3/h4-8H,1-3H3
InChIKeyYXJFCJJDNPANPU-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

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxynaphthalen-1-yl) 2-methylpropanoate
CID 142734241
3-O-(2-methoxyphenyl) 1-O-methyl 2-methylpropanedioate
CID 57097256
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate
CID 118108385
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
(2-methoxyphenyl) 2-(2,4,5-trichlorophenoxy)propanoate
CID 3641966
[4-fluoro-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 90032210
[2-(acetyloxymethyl)phenyl] 2-methylpropanoate
CID 170949242
4-O-[3-(2-methoxyphenoxy)-2-methyl-3-oxopropyl] 1-O-methyl (E)-but-2-enedioate
CID 69127135

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-methylpropanoate?
The IUPAC name of (2-methoxyphenyl) 2-methylpropanoate (CID 836904) is (2-methoxyphenyl) 2-methylpropanoate.
What is the SMILES notation for (2-methoxyphenyl) 2-methylpropanoate?
The canonical SMILES for (2-methoxyphenyl) 2-methylpropanoate is COc1ccccc1OC(=O)C(C)C.
What is the InChIKey of (2-methoxyphenyl) 2-methylpropanoate?
The InChIKey is YXJFCJJDNPANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)11(12)14-10-7-5-4-6-9(10)13-3/h4-8H,1-3H3.
What are the key properties of (2-methoxyphenyl) 2-methylpropanoate?
(2-methoxyphenyl) 2-methylpropanoate 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 (2-methoxyphenyl) 2-methylpropanoate is sourced from PubChem (CID 836904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).