propyl 2-(3-methylphenoxy)acetate

C12H16O3 — CID 78907736

IUPACpropyl 2-(3-methylphenoxy)acetate
SMILESCCCOC(=O)COc1cccc(C)c1
InChIInChI=1S/C12H16O3/c1-3-7-14-12(13)9-15-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3
InChIKeyGKNYHZJQSKKUMD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.33
Rot. Bonds5

About propyl 2-(3-methylphenoxy)acetate

propyl 2-(3-methylphenoxy)acetate (PubChem CID 78907736) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is propyl 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Namepropyl 2-(3-methylphenoxy)acetate
PubChem CID78907736
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namepropyl 2-(3-methylphenoxy)acetate
SMILESCCCOC(=O)COc1cccc(C)c1
InChIInChI=1S/C12H16O3/c1-3-7-14-12(13)9-15-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3
InChIKeyGKNYHZJQSKKUMD-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-(3-ethylphenoxy)acetate
CID 71628037
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
(3,3-dimethyl-2-oxobutyl) 2-(3-methylphenoxy)acetate
CID 2358385
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
4-(3-methylphenoxy)-1-propoxybutan-2-one
CID 105114891
1-(3-methylphenoxy)butan-2-one
CID 19100291
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
butyl 2-(3-fluorophenoxy)acetate
CID 60644291
heptyl 2-[2-(3-methylphenoxy)-2-oxoethoxy]acetate
CID 91704175

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-methylphenoxy)acetate?
The IUPAC name of propyl 2-(3-methylphenoxy)acetate (CID 78907736) is propyl 2-(3-methylphenoxy)acetate.
What is the SMILES notation for propyl 2-(3-methylphenoxy)acetate?
The canonical SMILES for propyl 2-(3-methylphenoxy)acetate is CCCOC(=O)COc1cccc(C)c1.
What is the InChIKey of propyl 2-(3-methylphenoxy)acetate?
The InChIKey is GKNYHZJQSKKUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-7-14-12(13)9-15-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of propyl 2-(3-methylphenoxy)acetate?
propyl 2-(3-methylphenoxy)acetate has a molecular weight of 208.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 78907736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).