(4S)-4-(4-propylphenyl)oxolan-3-one

C13H16O2 — CID 125425709

IUPAC(4S)-4-(4-propylphenyl)oxolan-3-one
SMILESCCCc1ccc([C@H]2COCC2=O)cc1
InChIInChI=1S/C13H16O2/c1-2-3-10-4-6-11(7-5-10)12-8-15-9-13(12)14/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1
InChIKeyNYJGWOIBWWTDGB-GFCCVEGCSA-N
MW204.27 g/mol
LogP2.32
Rot. Bonds3

About (4S)-4-(4-propylphenyl)oxolan-3-one

(4S)-4-(4-propylphenyl)oxolan-3-one (PubChem CID 125425709) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-(4-propylphenyl)oxolan-3-one.

Molecular Properties

Compound Name(4S)-4-(4-propylphenyl)oxolan-3-one
PubChem CID125425709
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(4S)-4-(4-propylphenyl)oxolan-3-one
SMILESCCCc1ccc([C@H]2COCC2=O)cc1
InChIInChI=1S/C13H16O2/c1-2-3-10-4-6-11(7-5-10)12-8-15-9-13(12)14/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1
InChIKeyNYJGWOIBWWTDGB-GFCCVEGCSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-propylphenyl)oxolan-3-one?
The IUPAC name of (4S)-4-(4-propylphenyl)oxolan-3-one (CID 125425709) is (4S)-4-(4-propylphenyl)oxolan-3-one.
What is the SMILES notation for (4S)-4-(4-propylphenyl)oxolan-3-one?
The canonical SMILES for (4S)-4-(4-propylphenyl)oxolan-3-one is CCCc1ccc([C@H]2COCC2=O)cc1.
What is the InChIKey of (4S)-4-(4-propylphenyl)oxolan-3-one?
The InChIKey is NYJGWOIBWWTDGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-3-10-4-6-11(7-5-10)12-8-15-9-13(12)14/h4-7,12H,2-3,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (4S)-4-(4-propylphenyl)oxolan-3-one?
(4S)-4-(4-propylphenyl)oxolan-3-one has a molecular weight of 204.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-propylphenyl)oxolan-3-one is sourced from PubChem (CID 125425709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).