ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate

C13H16O3 — CID 13065907

IUPACethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(OC)C1c1ccccc1
InChIInChI=1S/C13H16O3/c1-3-16-13(14)11-10(12(11)15-2)9-7-5-4-6-8-9/h4-8,10-12H,3H2,1-2H3
InChIKeyHXQRIQZUKSQDGW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.98
Rot. Bonds4

About ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate

ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate (PubChem CID 13065907) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
PubChem CID13065907
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(OC)C1c1ccccc1
InChIInChI=1S/C13H16O3/c1-3-16-13(14)11-10(12(11)15-2)9-7-5-4-6-8-9/h4-8,10-12H,3H2,1-2H3
InChIKeyHXQRIQZUKSQDGW-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (1R,2R,3R)-2-(4-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 90209349
ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
CID 77467095
ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718704
trans-diethyl (1S,3S)-4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate
CID 723569
ethyl 2-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718690
ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate
CID 10488912
ethyl (1R,2R,3R)-2-(5-chloro-3-pyridinyl)-3-phenylcyclopropane-1-carboxylate
CID 86721177
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidine-4-carboxylate
CID 11739857
ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate
CID 123779385
ethyl (1R,2R,3S)-2-(2-bromo-1,3-thiazol-5-yl)-3-phenylcyclopropane-1-carboxylate
CID 90071074

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate (CID 13065907) is ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate is CCOC(=O)C1C(OC)C1c1ccccc1.
What is the InChIKey of ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate?
The InChIKey is HXQRIQZUKSQDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-16-13(14)11-10(12(11)15-2)9-7-5-4-6-8-9/h4-8,10-12H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate?
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 13065907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).