ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate

C15H18O3 — CID 134964323

IUPACethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate
SMILESCCOC(=O)C1=C(COCc2ccccc2)CC1
InChIInChI=1S/C15H18O3/c1-2-18-15(16)14-9-8-13(14)11-17-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyPEBHXTCLBPXOHT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.86
Rot. Bonds6

About ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate

ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate (PubChem CID 134964323) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate
PubChem CID134964323
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate
SMILESCCOC(=O)C1=C(COCc2ccccc2)CC1
InChIInChI=1S/C15H18O3/c1-2-18-15(16)14-9-8-13(14)11-17-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyPEBHXTCLBPXOHT-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate?
The IUPAC name of ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate (CID 134964323) is ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate.
What is the SMILES notation for ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate?
The canonical SMILES for ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate is CCOC(=O)C1=C(COCc2ccccc2)CC1.
What is the InChIKey of ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate?
The InChIKey is PEBHXTCLBPXOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-18-15(16)14-9-8-13(14)11-17-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate?
ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenylmethoxymethyl)cyclobutene-1-carboxylate is sourced from PubChem (CID 134964323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).