7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one

C15H16O3 — CID 74047266

IUPAC7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
SMILESO=C1C(c2ccccc2)=COC2CC(O)CCC12
InChIInChI=1S/C15H16O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-5,9,11-12,14,16H,6-8H2
InChIKeyRLIPZJSZKTXHRR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.16
Rot. Bonds1

About 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one

7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one (PubChem CID 74047266) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
PubChem CID74047266
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
SMILESO=C1C(c2ccccc2)=COC2CC(O)CCC12
InChIInChI=1S/C15H16O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-5,9,11-12,14,16H,6-8H2
InChIKeyRLIPZJSZKTXHRR-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The IUPAC name of 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one (CID 74047266) is 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one.
What is the SMILES notation for 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The canonical SMILES for 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one is O=C1C(c2ccccc2)=COC2CC(O)CCC12.
What is the InChIKey of 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The InChIKey is RLIPZJSZKTXHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-5,9,11-12,14,16H,6-8H2.
What are the key properties of 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one has a molecular weight of 244.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one is sourced from PubChem (CID 74047266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).