2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one

C15H24O3 — CID 59096450

IUPAC2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
SMILESO=C1CC(C2CCCCC2)OC2CCCC(O)C12
InChIInChI=1S/C15H24O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h10-11,13-16H,1-9H2
InChIKeyREAHRJQXSAFJEP-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.45
Rot. Bonds1

About 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one

2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one (PubChem CID 59096450) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one.

Molecular Properties

Compound Name2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
PubChem CID59096450
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
SMILESO=C1CC(C2CCCCC2)OC2CCCC(O)C12
InChIInChI=1S/C15H24O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h10-11,13-16H,1-9H2
InChIKeyREAHRJQXSAFJEP-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one?
The IUPAC name of 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one (CID 59096450) is 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one.
What is the SMILES notation for 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one?
The canonical SMILES for 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one is O=C1CC(C2CCCCC2)OC2CCCC(O)C12.
What is the InChIKey of 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one?
The InChIKey is REAHRJQXSAFJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h10-11,13-16H,1-9H2.
What are the key properties of 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one?
2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one has a molecular weight of 252.35 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-hydroxy-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one is sourced from PubChem (CID 59096450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).