trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate

C14H16O2 — CID 101266257

IUPACtrans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
SMILESC=Cc1ccc([C@H]2C[C@@H]2C(=O)OCC)cc1
InChIInChI=1S/C14H16O2/c1-3-10-5-7-11(8-6-10)12-9-13(12)14(15)16-4-2/h3,5-8,12-13H,1,4,9H2,2H3/t12-,13+/m1/s1
InChIKeyUVFUPSPVNTVLJO-OLZOCXBDSA-N
MW216.28 g/mol
LogP3.00
Rot. Bonds4

About trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate (PubChem CID 101266257) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
PubChem CID101266257
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nametrans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
SMILESC=Cc1ccc([C@H]2C[C@@H]2C(=O)OCC)cc1
InChIInChI=1S/C14H16O2/c1-3-10-5-7-11(8-6-10)12-9-13(12)14(15)16-4-2/h3,5-8,12-13H,1,4,9H2,2H3/t12-,13+/m1/s1
InChIKeyUVFUPSPVNTVLJO-OLZOCXBDSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin
CID 141092878
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
trans-ethyl (1R,2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropane-1-carboxylate
CID 25111498
trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate
CID 124671256
ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate
CID 164906873
ethyl 2-[3-chloro-4-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
CID 167287354
1-fluoro-2-[(1R,2R)-2-methylcyclopropyl]benzene;trans-ethyl (1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 161322254
trans-ethyl (1S,2S)-2-[4-(5-iodo-1-methyl-4,5-dihydroimidazol-4-yl)phenyl]cyclopropane-1-carboxylate
CID 130257037

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate (CID 101266257) is trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate is C=Cc1ccc([C@H]2C[C@@H]2C(=O)OCC)cc1.
What is the InChIKey of trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate?
The InChIKey is UVFUPSPVNTVLJO-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-10-5-7-11(8-6-10)12-9-13(12)14(15)16-4-2/h3,5-8,12-13H,1,4,9H2,2H3/t12-,13+/m1/s1.
What are the key properties of trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 101266257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).