(1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one

C14H14O3 — CID 134526061

IUPAC(1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
SMILESO=C1CCC2CCc3ccc(O)c4c3C2[C@@H]1O4
InChIInChI=1S/C14H14O3/c15-9-5-3-7-1-2-8-4-6-10(16)14-12(8)11(7)13(9)17-14/h3,5,8,12,14-15H,1-2,4,6H2/t8?,12?,14-/m1/s1
InChIKeyVIEYXFUMDOCAQK-KLSKTNFXSA-N
MW230.26 g/mol
LogP2.16
Rot. Bonds

About (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one

(1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one (PubChem CID 134526061) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one.

Molecular Properties

Compound Name(1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
PubChem CID134526061
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
SMILESO=C1CCC2CCc3ccc(O)c4c3C2[C@@H]1O4
InChIInChI=1S/C14H14O3/c15-9-5-3-7-1-2-8-4-6-10(16)14-12(8)11(7)13(9)17-14/h3,5,8,12,14-15H,1-2,4,6H2/t8?,12?,14-/m1/s1
InChIKeyVIEYXFUMDOCAQK-KLSKTNFXSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one?
The IUPAC name of (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one (CID 134526061) is (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one.
What is the SMILES notation for (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one?
The canonical SMILES for (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one is O=C1CCC2CCc3ccc(O)c4c3C2[C@@H]1O4.
What is the InChIKey of (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one?
The InChIKey is VIEYXFUMDOCAQK-KLSKTNFXSA-N. The full InChI is InChI=1S/C14H14O3/c15-9-5-3-7-1-2-8-4-6-10(16)14-12(8)11(7)13(9)17-14/h3,5,8,12,14-15H,1-2,4,6H2/t8?,12?,14-/m1/s1.
What are the key properties of (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one?
(1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one is sourced from PubChem (CID 134526061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).