cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate

C12H14O3 — CID 134969081

IUPACcis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H]1Oc1ccccc1
InChIInChI=1S/C12H14O3/c1-2-14-12(13)10-8-11(10)15-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11+/m0/s1
InChIKeyBASDBLJCLDUECB-WDEREUQCSA-N
MW206.24 g/mol
LogP2.02
Rot. Bonds4

About cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate

cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate (PubChem CID 134969081) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate
PubChem CID134969081
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namecis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H]1Oc1ccccc1
InChIInChI=1S/C12H14O3/c1-2-14-12(13)10-8-11(10)15-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11+/m0/s1
InChIKeyBASDBLJCLDUECB-WDEREUQCSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
CID 11423844
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
CID 142479617
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
diethyl (6R,8S)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulene-6,8-dicarboxylate
CID 92522808
ethyl 2-[(4-bromophenyl)methoxy]cyclopropane-1-carboxylate
CID 130399632

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate (CID 134969081) is cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@H]1Oc1ccccc1.
What is the InChIKey of cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate?
The InChIKey is BASDBLJCLDUECB-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-14-12(13)10-8-11(10)15-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11+/m0/s1.
What are the key properties of cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate?
cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate is sourced from PubChem (CID 134969081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).