methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate

C15H18O3 — CID 10514560

IUPACmethyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate
SMILESCCO[C@@H]1CC(C(=O)OC)=C[C@H]1c1ccccc1
InChIInChI=1S/C15H18O3/c1-3-18-14-10-12(15(16)17-2)9-13(14)11-7-5-4-6-8-11/h4-9,13-14H,3,10H2,1-2H3/t13-,14+/m0/s1
InChIKeyALXDCCCGFXRPMO-UONOGXRCSA-N
MW246.31 g/mol
LogP2.68
Rot. Bonds4

About methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate

methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate (PubChem CID 10514560) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate
PubChem CID10514560
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namemethyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate
SMILESCCO[C@@H]1CC(C(=O)OC)=C[C@H]1c1ccccc1
InChIInChI=1S/C15H18O3/c1-3-18-14-10-12(15(16)17-2)9-13(14)11-7-5-4-6-8-11/h4-9,13-14H,3,10H2,1-2H3/t13-,14+/m0/s1
InChIKeyALXDCCCGFXRPMO-UONOGXRCSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[(1R,5R,6S)-5,6-dihydroxy-3-methoxycarbonylcyclohex-3-en-1-yl] benzoate
CID 70020199
methyl (3S,4R,5R)-3-amino-4-hydroxy-5-(naphthalen-2-ylmethoxy)cyclohexene-1-carboxylate
CID 127049426
methyl 3,4-dihydroxy-5-(methoxymethoxy)cyclohexene-1-carboxylate
CID 76554597
methyl (3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 91058414
methyl (2R,3S)-1-benzyl-2-ethoxy-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 56927653
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
dimethyl (1R,4S,7R,8R)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate
CID 10862991
methyl 5-benzoyloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 23379220
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
(1R,3R)-5-methoxycarbonyl-3-phenylcyclohept-4-ene-1-carboxylic acid
CID 10588376
methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate
CID 11183794

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate?
The IUPAC name of methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate (CID 10514560) is methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate is CCO[C@@H]1CC(C(=O)OC)=C[C@H]1c1ccccc1.
What is the InChIKey of methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate?
The InChIKey is ALXDCCCGFXRPMO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-18-14-10-12(15(16)17-2)9-13(14)11-7-5-4-6-8-11/h4-9,13-14H,3,10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate?
methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-4-ethoxy-3-phenylcyclopentene-1-carboxylate is sourced from PubChem (CID 10514560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).