(3-ethylphenyl)methyl cyclopropanecarboxylate

C13H16O2 — CID 137495375

IUPAC(3-ethylphenyl)methyl cyclopropanecarboxylate
SMILESCCc1cccc(COC(=O)C2CC2)c1
InChIInChI=1S/C13H16O2/c1-2-10-4-3-5-11(8-10)9-15-13(14)12-6-7-12/h3-5,8,12H,2,6-7,9H2,1H3
InChIKeyKUQJEFJHUFWCSD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.70
Rot. Bonds4

About (3-ethylphenyl)methyl cyclopropanecarboxylate

(3-ethylphenyl)methyl cyclopropanecarboxylate (PubChem CID 137495375) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-ethylphenyl)methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name(3-ethylphenyl)methyl cyclopropanecarboxylate
PubChem CID137495375
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(3-ethylphenyl)methyl cyclopropanecarboxylate
SMILESCCc1cccc(COC(=O)C2CC2)c1
InChIInChI=1S/C13H16O2/c1-2-10-4-3-5-11(8-10)9-15-13(14)12-6-7-12/h3-5,8,12H,2,6-7,9H2,1H3
InChIKeyKUQJEFJHUFWCSD-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)methyl cyclopropanecarboxylate?
The IUPAC name of (3-ethylphenyl)methyl cyclopropanecarboxylate (CID 137495375) is (3-ethylphenyl)methyl cyclopropanecarboxylate.
What is the SMILES notation for (3-ethylphenyl)methyl cyclopropanecarboxylate?
The canonical SMILES for (3-ethylphenyl)methyl cyclopropanecarboxylate is CCc1cccc(COC(=O)C2CC2)c1.
What is the InChIKey of (3-ethylphenyl)methyl cyclopropanecarboxylate?
The InChIKey is KUQJEFJHUFWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-10-4-3-5-11(8-10)9-15-13(14)12-6-7-12/h3-5,8,12H,2,6-7,9H2,1H3.
What are the key properties of (3-ethylphenyl)methyl cyclopropanecarboxylate?
(3-ethylphenyl)methyl cyclopropanecarboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)methyl cyclopropanecarboxylate is sourced from PubChem (CID 137495375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).