(5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate

C13H16O3 — CID 175074600

IUPAC(5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate
SMILESCCc1ccc(OC)c(OC(=O)C2CC2)c1
InChIInChI=1S/C13H16O3/c1-3-9-4-7-11(15-2)12(8-9)16-13(14)10-5-6-10/h4,7-8,10H,3,5-6H2,1-2H3
InChIKeyAQOMWKWVUCEDOF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.57
Rot. Bonds4

About (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate

(5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate (PubChem CID 175074600) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate
PubChem CID175074600
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate
SMILESCCc1ccc(OC)c(OC(=O)C2CC2)c1
InChIInChI=1S/C13H16O3/c1-3-9-4-7-11(15-2)12(8-9)16-13(14)10-5-6-10/h4,7-8,10H,3,5-6H2,1-2H3
InChIKeyAQOMWKWVUCEDOF-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.57
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

[5-[2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 163457573
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
(4-ethyl-2-propanoyloxyphenyl) propanoate
CID 90024003
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
(2-methoxy-5-nitrophenyl) cyclobutanecarboxylate
CID 71904426
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9357789
(2-methoxyphenyl) (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7220494
[4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 18510202
5-ethyl-2-methoxybenzoic acid
CID 20721149
4-ethyl-2-methoxybenzoic acid
CID 18687349
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate?
The IUPAC name of (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate (CID 175074600) is (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate.
What is the SMILES notation for (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate?
The canonical SMILES for (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate is CCc1ccc(OC)c(OC(=O)C2CC2)c1.
What is the InChIKey of (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate?
The InChIKey is AQOMWKWVUCEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-9-4-7-11(15-2)12(8-9)16-13(14)10-5-6-10/h4,7-8,10H,3,5-6H2,1-2H3.
What are the key properties of (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate?
(5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate is sourced from PubChem (CID 175074600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).