ethyl 2-(3-cyclopropyloxyphenyl)acetate

C13H16O3 — CID 114522675

IUPACethyl 2-(3-cyclopropyloxyphenyl)acetate
SMILESCCOC(=O)Cc1cccc(OC2CC2)c1
InChIInChI=1S/C13H16O3/c1-2-15-13(14)9-10-4-3-5-12(8-10)16-11-6-7-11/h3-5,8,11H,2,6-7,9H2,1H3
InChIKeyKPDRNBJFVNCVTR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.33
Rot. Bonds5

About ethyl 2-(3-cyclopropyloxyphenyl)acetate

ethyl 2-(3-cyclopropyloxyphenyl)acetate (PubChem CID 114522675) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropyloxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropyloxyphenyl)acetate
PubChem CID114522675
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethyl 2-(3-cyclopropyloxyphenyl)acetate
SMILESCCOC(=O)Cc1cccc(OC2CC2)c1
InChIInChI=1S/C13H16O3/c1-2-15-13(14)9-10-4-3-5-12(8-10)16-11-6-7-11/h3-5,8,11H,2,6-7,9H2,1H3
InChIKeyKPDRNBJFVNCVTR-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)methanol
CID 57336629
ethyl 2-(3-sulfanylphenyl)acetate
CID 66764945
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
CID 54494277
ethane;ethyl 2-[3-(bromomethyl)phenyl]acetate;methanamine
CID 143592739
ethyl 2-phenylacetate
CID 7590
ethyl 2-[3-[4-[methyl-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]carbamoyl]cyclohexyl]oxyphenyl]acetate
CID 56961017
ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate
CID 66875325
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
[3-(2-ethoxy-2-oxoethyl)phenyl]boronic acid
CID 53216302
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropyloxyphenyl)acetate?
The IUPAC name of ethyl 2-(3-cyclopropyloxyphenyl)acetate (CID 114522675) is ethyl 2-(3-cyclopropyloxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-cyclopropyloxyphenyl)acetate?
The canonical SMILES for ethyl 2-(3-cyclopropyloxyphenyl)acetate is CCOC(=O)Cc1cccc(OC2CC2)c1.
What is the InChIKey of ethyl 2-(3-cyclopropyloxyphenyl)acetate?
The InChIKey is KPDRNBJFVNCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-15-13(14)9-10-4-3-5-12(8-10)16-11-6-7-11/h3-5,8,11H,2,6-7,9H2,1H3.
What are the key properties of ethyl 2-(3-cyclopropyloxyphenyl)acetate?
ethyl 2-(3-cyclopropyloxyphenyl)acetate has a molecular weight of 220.27 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 ethyl 2-(3-cyclopropyloxyphenyl)acetate is sourced from PubChem (CID 114522675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).