cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate

C14H18O3 — CID 142479617

IUPACcis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1COc1ccc(C)cc1
InChIInChI=1S/C14H18O3/c1-3-16-14(15)13-8-11(13)9-17-12-6-4-10(2)5-7-12/h4-7,11,13H,3,8-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyOTWUWPWZUDKCCY-YPMHNXCESA-N
MW234.29 g/mol
LogP2.57
Rot. Bonds5

About cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate

cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate (PubChem CID 142479617) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
PubChem CID142479617
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namecis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1COc1ccc(C)cc1
InChIInChI=1S/C14H18O3/c1-3-16-14(15)13-8-11(13)9-17-12-6-4-10(2)5-7-12/h4-7,11,13H,3,8-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyOTWUWPWZUDKCCY-YPMHNXCESA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 23075047
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate
CID 142540009
ethyl 2-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carboxylate
CID 140808662
cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate
CID 134969081
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
2-[(4-tert-butylphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547454
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate
CID 156778715
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate (CID 142479617) is cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1COc1ccc(C)cc1.
What is the InChIKey of cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate?
The InChIKey is OTWUWPWZUDKCCY-YPMHNXCESA-N. The full InChI is InChI=1S/C14H18O3/c1-3-16-14(15)13-8-11(13)9-17-12-6-4-10(2)5-7-12/h4-7,11,13H,3,8-9H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate?
cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate has a molecular weight of 234.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 142479617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).