10-benzyl-10-hydroxyanthracen-9-one

C21H16O2 — CID 12660749

IUPAC10-benzyl-10-hydroxyanthracen-9-one
SMILESO=C1c2ccccc2C(O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H16O2/c22-20-16-10-4-6-12-18(16)21(23,14-15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-13,23H,14H2
InChIKeyVSFNKTVKIAVULX-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.71
Rot. Bonds2

About 10-benzyl-10-hydroxyanthracen-9-one

10-benzyl-10-hydroxyanthracen-9-one (PubChem CID 12660749) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 10-benzyl-10-hydroxyanthracen-9-one.

Molecular Properties

Compound Name10-benzyl-10-hydroxyanthracen-9-one
PubChem CID12660749
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name10-benzyl-10-hydroxyanthracen-9-one
SMILESO=C1c2ccccc2C(O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H16O2/c22-20-16-10-4-6-12-18(16)21(23,14-15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-13,23H,14H2
InChIKeyVSFNKTVKIAVULX-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-10-hydroxyanthracen-9-one?
The IUPAC name of 10-benzyl-10-hydroxyanthracen-9-one (CID 12660749) is 10-benzyl-10-hydroxyanthracen-9-one.
What is the SMILES notation for 10-benzyl-10-hydroxyanthracen-9-one?
The canonical SMILES for 10-benzyl-10-hydroxyanthracen-9-one is O=C1c2ccccc2C(O)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 10-benzyl-10-hydroxyanthracen-9-one?
The InChIKey is VSFNKTVKIAVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-20-16-10-4-6-12-18(16)21(23,14-15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-13,23H,14H2.
What are the key properties of 10-benzyl-10-hydroxyanthracen-9-one?
10-benzyl-10-hydroxyanthracen-9-one has a molecular weight of 300.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-10-hydroxyanthracen-9-one is sourced from PubChem (CID 12660749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).