cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate

C14H16O4 — CID 159138590

IUPACcyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
SMILESO=C(OCC1CC1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C14H16O4/c15-14(18-7-10-1-2-10)11-3-5-12(6-4-11)16-8-13-9-17-13/h3-6,10,13H,1-2,7-9H2
InChIKeyBJCQNNZPCZSJBL-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.03
Rot. Bonds6

About cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate

cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate (PubChem CID 159138590) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate.

Molecular Properties

Compound Namecyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
PubChem CID159138590
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Namecyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
SMILESO=C(OCC1CC1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C14H16O4/c15-14(18-7-10-1-2-10)11-3-5-12(6-4-11)16-8-13-9-17-13/h3-6,10,13H,1-2,7-9H2
InChIKeyBJCQNNZPCZSJBL-UHFFFAOYSA-N
XLogP2.03
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate?
The IUPAC name of cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate (CID 159138590) is cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate.
What is the SMILES notation for cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate?
The canonical SMILES for cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate is O=C(OCC1CC1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate?
The InChIKey is BJCQNNZPCZSJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-14(18-7-10-1-2-10)11-3-5-12(6-4-11)16-8-13-9-17-13/h3-6,10,13H,1-2,7-9H2.
What are the key properties of cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate?
cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate has a molecular weight of 248.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate is sourced from PubChem (CID 159138590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).