(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate

C14H16O2 — CID 175156246

IUPAC(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate
SMILESCc1ccc(C2CC2)c(OC(=O)C2CC2)c1
InChIInChI=1S/C14H16O2/c1-9-2-7-12(10-3-4-10)13(8-9)16-14(15)11-5-6-11/h2,7-8,10-11H,3-6H2,1H3
InChIKeyUYRZEXBUELDKSM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.19
Rot. Bonds3

About (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate

(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate (PubChem CID 175156246) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate
PubChem CID175156246
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate
SMILESCc1ccc(C2CC2)c(OC(=O)C2CC2)c1
InChIInChI=1S/C14H16O2/c1-9-2-7-12(10-3-4-10)13(8-9)16-14(15)11-5-6-11/h2,7-8,10-11H,3-6H2,1H3
InChIKeyUYRZEXBUELDKSM-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate?
The IUPAC name of (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate (CID 175156246) is (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate.
What is the SMILES notation for (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate?
The canonical SMILES for (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate is Cc1ccc(C2CC2)c(OC(=O)C2CC2)c1.
What is the InChIKey of (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate?
The InChIKey is UYRZEXBUELDKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-2-7-12(10-3-4-10)13(8-9)16-14(15)11-5-6-11/h2,7-8,10-11H,3-6H2,1H3.
What are the key properties of (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate?
(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate has a molecular weight of 216.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate is sourced from PubChem (CID 175156246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).