(3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one

C16H20O2 — CID 102210008

IUPAC(3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one
SMILESCC[C@H]1C(=O)OC(C(C)C)=C[C@@H]1c1ccccc1
InChIInChI=1S/C16H20O2/c1-4-13-14(12-8-6-5-7-9-12)10-15(11(2)3)18-16(13)17/h5-11,13-14H,4H2,1-3H3/t13-,14-/m1/s1
InChIKeyIDQTWDZDBXJBSU-ZIAGYGMSSA-N
MW244.33 g/mol
LogP3.89
Rot. Bonds3

About (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one

(3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one (PubChem CID 102210008) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one
PubChem CID102210008
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one
SMILESCC[C@H]1C(=O)OC(C(C)C)=C[C@@H]1c1ccccc1
InChIInChI=1S/C16H20O2/c1-4-13-14(12-8-6-5-7-9-12)10-15(11(2)3)18-16(13)17/h5-11,13-14H,4H2,1-3H3/t13-,14-/m1/s1
InChIKeyIDQTWDZDBXJBSU-ZIAGYGMSSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one?
The IUPAC name of (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one (CID 102210008) is (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one.
What is the SMILES notation for (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one?
The canonical SMILES for (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one is CC[C@H]1C(=O)OC(C(C)C)=C[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one?
The InChIKey is IDQTWDZDBXJBSU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-13-14(12-8-6-5-7-9-12)10-15(11(2)3)18-16(13)17/h5-11,13-14H,4H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one?
(3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one has a molecular weight of 244.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-phenyl-6-propan-2-yl-3,4-dihydropyran-2-one is sourced from PubChem (CID 102210008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).