ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate

C15H20O4 — CID 142960753

IUPACethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate
SMILESCCOC(=O)C(CC1CC1)Oc1cccc(OC)c1
InChIInChI=1S/C15H20O4/c1-3-18-15(16)14(9-11-7-8-11)19-13-6-4-5-12(10-13)17-2/h4-6,10-11,14H,3,7-9H2,1-2H3
InChIKeyLKEMMHNWQZTZLL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.81
Rot. Bonds7

About ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate

ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate (PubChem CID 142960753) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate
PubChem CID142960753
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate
SMILESCCOC(=O)C(CC1CC1)Oc1cccc(OC)c1
InChIInChI=1S/C15H20O4/c1-3-18-15(16)14(9-11-7-8-11)19-13-6-4-5-12(10-13)17-2/h4-6,10-11,14H,3,7-9H2,1-2H3
InChIKeyLKEMMHNWQZTZLL-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
CID 92684270
(2R)-2-(3-methoxyphenoxy)butanoate
CID 7022552
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
(2R)-N,N-diethyl-2-(3-methoxyphenoxy)butanamide
CID 99950238
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
2-(3-methoxyphenoxy)-N,N-dimethylbutanamide
CID 46778420
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
ethyl 2-(3-carbamoylphenoxy)butanoate
CID 64662255
[2-cyclopropyl-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191557
ethyl 2-(3-tert-butylphenoxy)butanoate
CID 63001634

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate?
The IUPAC name of ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate (CID 142960753) is ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate.
What is the SMILES notation for ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate?
The canonical SMILES for ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate is CCOC(=O)C(CC1CC1)Oc1cccc(OC)c1.
What is the InChIKey of ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate?
The InChIKey is LKEMMHNWQZTZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-18-15(16)14(9-11-7-8-11)19-13-6-4-5-12(10-13)17-2/h4-6,10-11,14H,3,7-9H2,1-2H3.
What are the key properties of ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate?
ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate has a molecular weight of 264.32 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate is sourced from PubChem (CID 142960753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).