2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one

C19H12O3 — CID 2754650

IUPAC2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one
SMILESO=C1C(O)=Cc2c(-c3ccc(O)cc3)ccc3cccc1c23
InChIInChI=1S/C19H12O3/c20-13-7-4-11(5-8-13)14-9-6-12-2-1-3-15-18(12)16(14)10-17(21)19(15)22/h1-10,20-21H
InChIKeyUQMKPTIDKHEGFW-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.31
Rot. Bonds1

About 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one

2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one (PubChem CID 2754650) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one
PubChem CID2754650
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one
SMILESO=C1C(O)=Cc2c(-c3ccc(O)cc3)ccc3cccc1c23
InChIInChI=1S/C19H12O3/c20-13-7-4-11(5-8-13)14-9-6-12-2-1-3-15-18(12)16(14)10-17(21)19(15)22/h1-10,20-21H
InChIKeyUQMKPTIDKHEGFW-UHFFFAOYSA-N
XLogP4.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one?
The IUPAC name of 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one (CID 2754650) is 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one.
What is the SMILES notation for 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one?
The canonical SMILES for 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one is O=C1C(O)=Cc2c(-c3ccc(O)cc3)ccc3cccc1c23.
What is the InChIKey of 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one?
The InChIKey is UQMKPTIDKHEGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3/c20-13-7-4-11(5-8-13)14-9-6-12-2-1-3-15-18(12)16(14)10-17(21)19(15)22/h1-10,20-21H.
What are the key properties of 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one?
2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one has a molecular weight of 288.30 g/mol, XLogP of 4.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one is sourced from PubChem (CID 2754650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).