(2Z)-2-(hydroxymethylidene)phenalene-1,9-dione

C14H8O3 — CID 135692484

IUPAC(2Z)-2-(hydroxymethylidene)phenalene-1,9-dione
SMILESO=c1ccc2cccc3c/c(=C/O)c(=O)c1=c23
InChIInChI=1S/C14H8O3/c15-7-10-6-9-3-1-2-8-4-5-11(16)13(12(8)9)14(10)17/h1-7,15H/b10-7-
InChIKeyIXIIBJAVJRMQQJ-YFHOEESVSA-N
MW224.22 g/mol
LogP0.74
Rot. Bonds

About (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione

(2Z)-2-(hydroxymethylidene)phenalene-1,9-dione (PubChem CID 135692484) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione.

Molecular Properties

Compound Name(2Z)-2-(hydroxymethylidene)phenalene-1,9-dione
PubChem CID135692484
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name(2Z)-2-(hydroxymethylidene)phenalene-1,9-dione
SMILESO=c1ccc2cccc3c/c(=C/O)c(=O)c1=c23
InChIInChI=1S/C14H8O3/c15-7-10-6-9-3-1-2-8-4-5-11(16)13(12(8)9)14(10)17/h1-7,15H/b10-7-
InChIKeyIXIIBJAVJRMQQJ-YFHOEESVSA-N
XLogP0.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione?
The IUPAC name of (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione (CID 135692484) is (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione.
What is the SMILES notation for (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione?
The canonical SMILES for (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione is O=c1ccc2cccc3c/c(=C/O)c(=O)c1=c23.
What is the InChIKey of (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione?
The InChIKey is IXIIBJAVJRMQQJ-YFHOEESVSA-N. The full InChI is InChI=1S/C14H8O3/c15-7-10-6-9-3-1-2-8-4-5-11(16)13(12(8)9)14(10)17/h1-7,15H/b10-7-.
What are the key properties of (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione?
(2Z)-2-(hydroxymethylidene)phenalene-1,9-dione has a molecular weight of 224.22 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(hydroxymethylidene)phenalene-1,9-dione is sourced from PubChem (CID 135692484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).