1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one

C22H16O3 — CID 10381833

IUPAC1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one
SMILESO=C1c2c(O)cccc2C(=CCc2ccccc2)c2cccc(O)c21
InChIInChI=1S/C22H16O3/c23-18-10-4-8-16-15(13-12-14-6-2-1-3-7-14)17-9-5-11-19(24)21(17)22(25)20(16)18/h1-11,13,23-24H,12H2
InChIKeyMXYXIJUPSCDQKS-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.32
Rot. Bonds2

About 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one

1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one (PubChem CID 10381833) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one
PubChem CID10381833
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one
SMILESO=C1c2c(O)cccc2C(=CCc2ccccc2)c2cccc(O)c21
InChIInChI=1S/C22H16O3/c23-18-10-4-8-16-15(13-12-14-6-2-1-3-7-14)17-9-5-11-19(24)21(17)22(25)20(16)18/h1-11,13,23-24H,12H2
InChIKeyMXYXIJUPSCDQKS-UHFFFAOYSA-N
XLogP4.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one (CID 10381833) is 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one is O=C1c2c(O)cccc2C(=CCc2ccccc2)c2cccc(O)c21.
What is the InChIKey of 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one?
The InChIKey is MXYXIJUPSCDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c23-18-10-4-8-16-15(13-12-14-6-2-1-3-7-14)17-9-5-11-19(24)21(17)22(25)20(16)18/h1-11,13,23-24H,12H2.
What are the key properties of 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one?
1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one has a molecular weight of 328.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-(2-phenylethylidene)anthracen-9-one is sourced from PubChem (CID 10381833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).