6-hydroxy-7-phenyl-2,3-dihydroinden-1-one

C30H24O4 — CID 139118666

IUPAC6-hydroxy-7-phenyl-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(O)c(-c3ccccc3)c21.O=C1CCc2ccc(O)c(-c3ccccc3)c21
InChIInChI=1S/2C15H12O2/c2*16-12-8-6-11-7-9-13(17)15(11)14(12)10-4-2-1-3-5-10/h2*1-6,8,16H,7,9H2
InChIKeyLZSDSFDRIAEDQU-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.38
Rot. Bonds2

About 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one

6-hydroxy-7-phenyl-2,3-dihydroinden-1-one (PubChem CID 139118666) has the molecular formula C30H24O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-hydroxy-7-phenyl-2,3-dihydroinden-1-one
PubChem CID139118666
Molecular FormulaC30H24O4
Molecular Weight448.52 g/mol
Exact Mass448.17
IUPAC Name6-hydroxy-7-phenyl-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(O)c(-c3ccccc3)c21.O=C1CCc2ccc(O)c(-c3ccccc3)c21
InChIInChI=1S/2C15H12O2/c2*16-12-8-6-11-7-9-13(17)15(11)14(12)10-4-2-1-3-5-10/h2*1-6,8,16H,7,9H2
InChIKeyLZSDSFDRIAEDQU-UHFFFAOYSA-N
XLogP6.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one (CID 139118666) is 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one is O=C1CCc2ccc(O)c(-c3ccccc3)c21.O=C1CCc2ccc(O)c(-c3ccccc3)c21.
What is the InChIKey of 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one?
The InChIKey is LZSDSFDRIAEDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12O2/c2*16-12-8-6-11-7-9-13(17)15(11)14(12)10-4-2-1-3-5-10/h2*1-6,8,16H,7,9H2.
What are the key properties of 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one?
6-hydroxy-7-phenyl-2,3-dihydroinden-1-one has a molecular weight of 448.52 g/mol, XLogP of 6.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 139118666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).