trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate

C19H20O2 — CID 102087442

IUPACtrans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C19H20O2/c1-3-21-18(20)19(16-7-5-4-6-8-16)13-17(19)15-11-9-14(2)10-12-15/h4-12,17H,3,13H2,1-2H3/t17-,19-/m0/s1
InChIKeyMBLANIGBLBEGNJ-HKUYNNGSSA-N
MW280.37 g/mol
LogP3.98
Rot. Bonds4

About trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate

trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate (PubChem CID 102087442) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
PubChem CID102087442
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Nametrans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C19H20O2/c1-3-21-18(20)19(16-7-5-4-6-8-16)13-17(19)15-11-9-14(2)10-12-15/h4-12,17H,3,13H2,1-2H3/t17-,19-/m0/s1
InChIKeyMBLANIGBLBEGNJ-HKUYNNGSSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-tert-butyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 139247049
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
ethyl (1R,2S,4R)-2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 93483976
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
trans-methyl (1S,2R)-2-(4-tert-butylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 122384881
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
cis-methyl (1S,2S)-2-(4-cyanophenyl)-1-phenylcyclopropane-1-carboxylate
CID 71511985
ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
CID 13218496
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326
ethyl (1R,2S,4R,5R)-4-hydroxy-4-methyl-8-oxo-2-phenylbicyclo[3.2.1]octane-1-carboxylate
CID 10566276

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate (CID 102087442) is trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate is CCOC(=O)[C@]1(c2ccccc2)C[C@H]1c1ccc(C)cc1.
What is the InChIKey of trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate?
The InChIKey is MBLANIGBLBEGNJ-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-21-18(20)19(16-7-5-4-6-8-16)13-17(19)15-11-9-14(2)10-12-15/h4-12,17H,3,13H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate?
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 102087442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).