methyl 2-(4-propylphenoxy)acetate

C12H16O3 — CID 19911850

IUPACmethyl 2-(4-propylphenoxy)acetate
SMILESCCCc1ccc(OCC(=O)OC)cc1
InChIInChI=1S/C12H16O3/c1-3-4-10-5-7-11(8-6-10)15-9-12(13)14-2/h5-8H,3-4,9H2,1-2H3
InChIKeyDUIIXWOSGNYNDW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.19
Rot. Bonds5

About methyl 2-(4-propylphenoxy)acetate

methyl 2-(4-propylphenoxy)acetate (PubChem CID 19911850) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-(4-propylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-propylphenoxy)acetate
PubChem CID19911850
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 2-(4-propylphenoxy)acetate
SMILESCCCc1ccc(OCC(=O)OC)cc1
InChIInChI=1S/C12H16O3/c1-3-4-10-5-7-11(8-6-10)15-9-12(13)14-2/h5-8H,3-4,9H2,1-2H3
InChIKeyDUIIXWOSGNYNDW-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
CID 20820636
methyl 3-[4-(2-butoxy-2-oxoethoxy)phenyl]propanoate
CID 143068523
1-(4-propylphenoxy)pentan-2-one
CID 62549961
2-amino-1-(3-chlorophenyl)ethanol;methyl 2-(4-propylphenoxy)acetate
CID 70472638
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568845
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propylphenoxy)acetate?
The IUPAC name of methyl 2-(4-propylphenoxy)acetate (CID 19911850) is methyl 2-(4-propylphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-propylphenoxy)acetate?
The canonical SMILES for methyl 2-(4-propylphenoxy)acetate is CCCc1ccc(OCC(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-propylphenoxy)acetate?
The InChIKey is DUIIXWOSGNYNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-4-10-5-7-11(8-6-10)15-9-12(13)14-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of methyl 2-(4-propylphenoxy)acetate?
methyl 2-(4-propylphenoxy)acetate has a molecular weight of 208.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propylphenoxy)acetate is sourced from PubChem (CID 19911850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).