(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one

C13H14O2 — CID 57255921

IUPAC(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one
SMILESO=C1OC2CCCC1[C@H]2c1ccccc1
InChIInChI=1S/C13H14O2/c14-13-10-7-4-8-11(15-13)12(10)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10?,11?,12-/m1/s1
InChIKeyFEMXNVMHEKOROX-HTAVTVPLSA-N
MW202.25 g/mol
LogP2.50
Rot. Bonds1

About (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one

(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 57255921) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID57255921
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one
SMILESO=C1OC2CCCC1[C@H]2c1ccccc1
InChIInChI=1S/C13H14O2/c14-13-10-7-4-8-11(15-13)12(10)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10?,11?,12-/m1/s1
InChIKeyFEMXNVMHEKOROX-HTAVTVPLSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,2S,6S)-2-phenylsulfanyl-7-oxabicyclo[4.2.0]octan-8-one
CID 132547428
(3aS,7R,7aS)-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 10560670
(1R,12R)-13-oxabicyclo[10.2.0]tetradecan-14-one
CID 101342521
(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one
CID 101405571
(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one
CID 28765601
8-amino-6-oxabicyclo[3.2.1]octan-7-one
CID 72998660
CID 135048454
CID 135048454
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
2-[(1R)-2-phenylcyclopentyl]isoindole-1,3-dione
CID 142191199
(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one
CID 10352283
(11S,15S)-2,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraen-9-one
CID 101041214

Frequently Asked Questions

What is the IUPAC name of (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one (CID 57255921) is (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one is O=C1OC2CCCC1[C@H]2c1ccccc1.
What is the InChIKey of (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is FEMXNVMHEKOROX-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H14O2/c14-13-10-7-4-8-11(15-13)12(10)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10?,11?,12-/m1/s1.
What are the key properties of (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one?
(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one has a molecular weight of 202.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 57255921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).