ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate

C15H18O3 — CID 155882843

IUPACethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate
SMILESC=C1C[C@H](c2ccccc2)[C@H]1COC(=O)OCC
InChIInChI=1S/C15H18O3/c1-3-17-15(16)18-10-14-11(2)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyLXNBGQUQRNJGPJ-KGLIPLIRSA-N
MW246.31 g/mol
LogP3.52
Rot. Bonds4

About ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate

ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate (PubChem CID 155882843) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate.

Molecular Properties

Compound Nameethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate
PubChem CID155882843
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate
SMILESC=C1C[C@H](c2ccccc2)[C@H]1COC(=O)OCC
InChIInChI=1S/C15H18O3/c1-3-17-15(16)18-10-14-11(2)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyLXNBGQUQRNJGPJ-KGLIPLIRSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate 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

diethyl (3aR,4R,6aS)-6-methylidene-4-phenyl-1,3,3a,4,5,6a-hexahydropentalene-2,2-dicarboxylate
CID 101390363
ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate
CID 71570396
ethyl (5-phenyl-4,5-dihydro-1,2-oxazol-3-yl) carbonate
CID 23064923
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate
CID 132530196
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588
ethyl 2-diazo-2-[(1S)-2-phenylcyclopropyl]acetate
CID 137287547
ethyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 757835

Frequently Asked Questions

What is the IUPAC name of ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate?
The IUPAC name of ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate (CID 155882843) is ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate.
What is the SMILES notation for ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate?
The canonical SMILES for ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate is C=C1C[C@H](c2ccccc2)[C@H]1COC(=O)OCC.
What is the InChIKey of ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate?
The InChIKey is LXNBGQUQRNJGPJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-17-15(16)18-10-14-11(2)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate?
ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate has a molecular weight of 246.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(1R,4S)-2-methylidene-4-phenylcyclobutyl]methyl carbonate is sourced from PubChem (CID 155882843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).