7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one

C15H24O4 — CID 140633955

IUPAC7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
SMILESO=C1CC(C2CCC(O)CC2)OC2CC(O)CCC12
InChIInChI=1S/C15H24O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h9-12,14-17H,1-8H2
InChIKeyGZFYIZMUMTXZFX-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.43
Rot. Bonds1

About 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one

7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one (PubChem CID 140633955) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
PubChem CID140633955
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
SMILESO=C1CC(C2CCC(O)CC2)OC2CC(O)CCC12
InChIInChI=1S/C15H24O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h9-12,14-17H,1-8H2
InChIKeyGZFYIZMUMTXZFX-UHFFFAOYSA-N
XLogP1.43
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one?
The IUPAC name of 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one (CID 140633955) is 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one?
The canonical SMILES for 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one is O=C1CC(C2CCC(O)CC2)OC2CC(O)CCC12.
What is the InChIKey of 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one?
The InChIKey is GZFYIZMUMTXZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h9-12,14-17H,1-8H2.
What are the key properties of 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one?
7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one has a molecular weight of 268.35 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one is sourced from PubChem (CID 140633955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).