[2-(3-phenoxyphenyl)cyclopropyl] formate

C16H14O3 — CID 57131825

IUPAC[2-(3-phenoxyphenyl)cyclopropyl] formate
SMILESO=COC1CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H14O3/c17-11-18-16-10-15(16)12-5-4-8-14(9-12)19-13-6-2-1-3-7-13/h1-9,11,15-16H,10H2
InChIKeyLLBIPCGTXAZDLF-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.51
Rot. Bonds5

About [2-(3-phenoxyphenyl)cyclopropyl] formate

[2-(3-phenoxyphenyl)cyclopropyl] formate (PubChem CID 57131825) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is [2-(3-phenoxyphenyl)cyclopropyl] formate.

Molecular Properties

Compound Name[2-(3-phenoxyphenyl)cyclopropyl] formate
PubChem CID57131825
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name[2-(3-phenoxyphenyl)cyclopropyl] formate
SMILESO=COC1CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H14O3/c17-11-18-16-10-15(16)12-5-4-8-14(9-12)19-13-6-2-1-3-7-13/h1-9,11,15-16H,10H2
InChIKeyLLBIPCGTXAZDLF-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenoxyphenyl)cyclopropyl] formate?
The IUPAC name of [2-(3-phenoxyphenyl)cyclopropyl] formate (CID 57131825) is [2-(3-phenoxyphenyl)cyclopropyl] formate.
What is the SMILES notation for [2-(3-phenoxyphenyl)cyclopropyl] formate?
The canonical SMILES for [2-(3-phenoxyphenyl)cyclopropyl] formate is O=COC1CC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-(3-phenoxyphenyl)cyclopropyl] formate?
The InChIKey is LLBIPCGTXAZDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-11-18-16-10-15(16)12-5-4-8-14(9-12)19-13-6-2-1-3-7-13/h1-9,11,15-16H,10H2.
What are the key properties of [2-(3-phenoxyphenyl)cyclopropyl] formate?
[2-(3-phenoxyphenyl)cyclopropyl] formate has a molecular weight of 254.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenoxyphenyl)cyclopropyl] formate is sourced from PubChem (CID 57131825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).