cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate

C14H18O3 — CID 11470338

IUPACcis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1COCc1ccccc1
InChIInChI=1S/C14H18O3/c1-2-17-14(15)13-8-12(13)10-16-9-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m0/s1
InChIKeyWPTIXUDEALSQOF-QWHCGFSZSA-N
MW234.29 g/mol
LogP2.40
Rot. Bonds6

About cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate

cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate (PubChem CID 11470338) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
PubChem CID11470338
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namecis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1COCc1ccccc1
InChIInChI=1S/C14H18O3/c1-2-17-14(15)13-8-12(13)10-16-9-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m0/s1
InChIKeyWPTIXUDEALSQOF-QWHCGFSZSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
carbon dioxide;cis-ethyl (1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 161093446
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate
CID 156778715
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl (2R,3R)-5-oxo-3-(phenylmethoxymethyl)thiane-2-carboxylate
CID 101028113
(2,6-ditert-butyl-4-methylphenyl) 2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 91127978
ethyl (2S,6S)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-thiopyran-2-carboxylate
CID 101028101
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
CID 142479617
3-O-benzyl 4-O-ethyl (3S,4S)-1-benzylpyrrolidine-3,4-dicarboxylate
CID 155095649

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate (CID 11470338) is cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1COCc1ccccc1.
What is the InChIKey of cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate?
The InChIKey is WPTIXUDEALSQOF-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-17-14(15)13-8-12(13)10-16-9-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate has a molecular weight of 234.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 11470338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).