(2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane

C19H20O2 — CID 100917735

IUPAC(2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane
SMILESCCO[C@H]1C[C@@H](c2ccccc2)O/C1=C\c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-20-18-14-17(16-11-7-4-8-12-16)21-19(18)13-15-9-5-3-6-10-15/h3-13,17-18H,2,14H2,1H3/b19-13-/t17-,18-/m0/s1
InChIKeyMVHUOQNBRSXDNF-MECMFDMCSA-N
MW280.37 g/mol
LogP4.59
Rot. Bonds4

About (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane

(2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane (PubChem CID 100917735) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane.

Molecular Properties

Compound Name(2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane
PubChem CID100917735
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane
SMILESCCO[C@H]1C[C@@H](c2ccccc2)O/C1=C\c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-20-18-14-17(16-11-7-4-8-12-16)21-19(18)13-15-9-5-3-6-10-15/h3-13,17-18H,2,14H2,1H3/b19-13-/t17-,18-/m0/s1
InChIKeyMVHUOQNBRSXDNF-MECMFDMCSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane?
The IUPAC name of (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane (CID 100917735) is (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane.
What is the SMILES notation for (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane?
The canonical SMILES for (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane is CCO[C@H]1C[C@@H](c2ccccc2)O/C1=C\c1ccccc1.
What is the InChIKey of (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane?
The InChIKey is MVHUOQNBRSXDNF-MECMFDMCSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-20-18-14-17(16-11-7-4-8-12-16)21-19(18)13-15-9-5-3-6-10-15/h3-13,17-18H,2,14H2,1H3/b19-13-/t17-,18-/m0/s1.
What are the key properties of (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane?
(2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane has a molecular weight of 280.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S,5S)-2-benzylidene-3-ethoxy-5-phenyloxolane is sourced from PubChem (CID 100917735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).