ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate

C17H18O5 — CID 122379690

IUPACethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)OCC[C@]1(O)c1ccco1
InChIInChI=1S/C17H18O5/c1-2-20-15(18)17(13-7-4-3-5-8-13)16(19,10-12-22-17)14-9-6-11-21-14/h3-9,11,19H,2,10,12H2,1H3/t16-,17+/m0/s1
InChIKeyNKASHRVATRLUQN-DLBZAZTESA-N
MW302.33 g/mol
LogP2.35
Rot. Bonds4

About ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate

ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate (PubChem CID 122379690) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate
PubChem CID122379690
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Nameethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)OCC[C@]1(O)c1ccco1
InChIInChI=1S/C17H18O5/c1-2-20-15(18)17(13-7-4-3-5-8-13)16(19,10-12-22-17)14-9-6-11-21-14/h3-9,11,19H,2,10,12H2,1H3/t16-,17+/m0/s1
InChIKeyNKASHRVATRLUQN-DLBZAZTESA-N
XLogP2.35
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 105438633
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CID 122379682
ethyl 4-hydroxy-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
CID 10496202
ethyl 1-phenylcyclopent-2-ene-1-carboxylate
CID 10420867
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CID 170859240
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate
CID 132516898
ethyl (4aS,7aR)-7a-hydroxy-3,3-diphenyl-4,5,6,7-tetrahydrocyclopenta[c][1,2]dioxine-4a-carboxylate
CID 10067601
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705
ethyl 3-phenyl-1,4-dihydroisochromene-3-carboxylate
CID 102046505

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate?
The IUPAC name of ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate (CID 122379690) is ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate is CCOC(=O)[C@@]1(c2ccccc2)OCC[C@]1(O)c1ccco1.
What is the InChIKey of ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate?
The InChIKey is NKASHRVATRLUQN-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18O5/c1-2-20-15(18)17(13-7-4-3-5-8-13)16(19,10-12-22-17)14-9-6-11-21-14/h3-9,11,19H,2,10,12H2,1H3/t16-,17+/m0/s1.
What are the key properties of ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate?
ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate is sourced from PubChem (CID 122379690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).