2-hydroxy-4-phenylphenalen-1-one

C19H12O2 — CID 46906667

IUPAC2-hydroxy-4-phenylphenalen-1-one
SMILESO=C1C(O)=Cc2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C19H12O2/c20-17-11-16-14(12-5-2-1-3-6-12)10-9-13-7-4-8-15(18(13)16)19(17)21/h1-11,20H
InChIKeyWQFZXPBMLGMQBO-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.60
Rot. Bonds1

About 2-hydroxy-4-phenylphenalen-1-one

2-hydroxy-4-phenylphenalen-1-one (PubChem CID 46906667) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-hydroxy-4-phenylphenalen-1-one.

Molecular Properties

Compound Name2-hydroxy-4-phenylphenalen-1-one
PubChem CID46906667
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name2-hydroxy-4-phenylphenalen-1-one
SMILESO=C1C(O)=Cc2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C19H12O2/c20-17-11-16-14(12-5-2-1-3-6-12)10-9-13-7-4-8-15(18(13)16)19(17)21/h1-11,20H
InChIKeyWQFZXPBMLGMQBO-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-4-phenylphenalen-1-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 2-hydroxy-4-phenylphenalen-1-one?
The IUPAC name of 2-hydroxy-4-phenylphenalen-1-one (CID 46906667) is 2-hydroxy-4-phenylphenalen-1-one.
What is the SMILES notation for 2-hydroxy-4-phenylphenalen-1-one?
The canonical SMILES for 2-hydroxy-4-phenylphenalen-1-one is O=C1C(O)=Cc2c(-c3ccccc3)ccc3cccc1c23.
What is the InChIKey of 2-hydroxy-4-phenylphenalen-1-one?
The InChIKey is WQFZXPBMLGMQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c20-17-11-16-14(12-5-2-1-3-6-12)10-9-13-7-4-8-15(18(13)16)19(17)21/h1-11,20H.
What are the key properties of 2-hydroxy-4-phenylphenalen-1-one?
2-hydroxy-4-phenylphenalen-1-one has a molecular weight of 272.30 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenylphenalen-1-one is sourced from PubChem (CID 46906667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).