ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate

C15H18O3 — CID 10658079

IUPACethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)O[C@H]2CCC[C@H]21
InChIInChI=1S/C15H18O3/c1-2-17-14(16)15(11-7-4-3-5-8-11)12-9-6-10-13(12)18-15/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+,15-/m1/s1
InChIKeyQHQHFIBHCFQTHN-VNHYZAJKSA-N
MW246.31 g/mol
LogP2.64
Rot. Bonds3

About ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate

ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate (PubChem CID 10658079) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate.

Molecular Properties

Compound Nameethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate
PubChem CID10658079
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)O[C@H]2CCC[C@H]21
InChIInChI=1S/C15H18O3/c1-2-17-14(16)15(11-7-4-3-5-8-11)12-9-6-10-13(12)18-15/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+,15-/m1/s1
InChIKeyQHQHFIBHCFQTHN-VNHYZAJKSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate with MolForge

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Related Compounds

Methyl 2-methoxy-2-phenylacetate
CID 344720
Benzeneacetic acid, alpha-methoxy-, sodium salt (1:1)
CID 23687864
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E,3S)-6-acetyloxy-3-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 118713843
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-[(E,3S)-6-acetyloxy-3-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 118713844
Propan-2-yl 3-methyl-3-phenyloxirane-2-carboxylate
CID 249271
Ethyl 2-methoxy-2-phenylacetate
CID 11819944
Axeydqjdbpteec-uhfffaoysa-
CID 3596726
Cyclohexyl(ethoxy)phenylacetic acid
CID 207940
2-(Tert-butoxy)-2-phenylacetic acid
CID 43126887
Methyl 2-(1-methoxy-1-oxo-2-phenylpropan-2-yl)oxy-2-methylpropanoate
CID 12282954
[(3S,3aR,4S,9aR,9bS)-3-acetyloxy-3,6,9-trimethyl-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] benzoate
CID 25149680
[(3S,3aR,4S,9aR,9bS)-3,6,9-trimethyl-3-(3-methylbut-2-enoyloxy)-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] benzoate
CID 101591269

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate?
The IUPAC name of ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate (CID 10658079) is ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate.
What is the SMILES notation for ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate?
The canonical SMILES for ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate is CCOC(=O)[C@]1(c2ccccc2)O[C@H]2CCC[C@H]21.
What is the InChIKey of ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate?
The InChIKey is QHQHFIBHCFQTHN-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-17-14(16)15(11-7-4-3-5-8-11)12-9-6-10-13(12)18-15/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+,15-/m1/s1.
What are the key properties of ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate?
ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,5S,7S)-7-phenyl-6-oxabicyclo[3.2.0]heptane-7-carboxylate is sourced from PubChem (CID 10658079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).