2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one

C20H14O4 — CID 10734307

IUPAC2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one
SMILESCOc1cc(-c2ccc3cccc4c3c2C(=O)C(O)=C4)ccc1O
InChIInChI=1S/C20H14O4/c1-24-17-10-12(6-8-15(17)21)14-7-5-11-3-2-4-13-9-16(22)20(23)19(14)18(11)13/h2-10,21-22H,1H3
InChIKeyGMSAUUARBZSDEJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.32
Rot. Bonds2

About 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one

2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one (PubChem CID 10734307) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one
PubChem CID10734307
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one
SMILESCOc1cc(-c2ccc3cccc4c3c2C(=O)C(O)=C4)ccc1O
InChIInChI=1S/C20H14O4/c1-24-17-10-12(6-8-15(17)21)14-7-5-11-3-2-4-13-9-16(22)20(23)19(14)18(11)13/h2-10,21-22H,1H3
InChIKeyGMSAUUARBZSDEJ-UHFFFAOYSA-N
XLogP4.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one?
The IUPAC name of 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one (CID 10734307) is 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one.
What is the SMILES notation for 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one?
The canonical SMILES for 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one is COc1cc(-c2ccc3cccc4c3c2C(=O)C(O)=C4)ccc1O.
What is the InChIKey of 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one?
The InChIKey is GMSAUUARBZSDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c1-24-17-10-12(6-8-15(17)21)14-7-5-11-3-2-4-13-9-16(22)20(23)19(14)18(11)13/h2-10,21-22H,1H3.
What are the key properties of 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one?
2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one has a molecular weight of 318.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one is sourced from PubChem (CID 10734307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).