ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate

C15H20O3 — CID 568159

IUPACethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(OC(C)C)c1ccccc1
InChIInChI=1S/C15H20O3/c1-4-17-14(16)13-10-15(13,18-11(2)3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
InChIKeySZUKKEOCKFIJKI-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate

ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate (PubChem CID 568159) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate
PubChem CID568159
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(OC(C)C)c1ccccc1
InChIInChI=1S/C15H20O3/c1-4-17-14(16)13-10-15(13,18-11(2)3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
InChIKeySZUKKEOCKFIJKI-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
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cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
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cis-ethyl (1R,2S)-2-[(E)-oct-1-enyl]-2-phenylcyclopropane-1-carboxylate
CID 102475400
ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate
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ethyl 1-(3-bromophenyl)bicyclo[2.1.1]hexane-2-carboxylate
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diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate (CID 568159) is ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate is CCOC(=O)C1CC1(OC(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate?
The InChIKey is SZUKKEOCKFIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-17-14(16)13-10-15(13,18-11(2)3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3.
What are the key properties of ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate?
ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate is sourced from PubChem (CID 568159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).