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

C20H14O3 — CID 638391

IUPAC2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3cccc4c3c2C=C(O)C4=O)cc1
InChIInChI=1S/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3
InChIKeyPVZKBQMWQRUUFI-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.61
Rot. Bonds2

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

2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one (PubChem CID 638391) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one.

Molecular Properties

Compound Name2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one
PubChem CID638391
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one
SMILESCOc1ccc(-c2ccc3cccc4c3c2C=C(O)C4=O)cc1
InChIInChI=1S/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3
InChIKeyPVZKBQMWQRUUFI-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one?
The IUPAC name of 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one (CID 638391) is 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one.
What is the SMILES notation for 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one?
The canonical SMILES for 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one is COc1ccc(-c2ccc3cccc4c3c2C=C(O)C4=O)cc1.
What is the InChIKey of 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one?
The InChIKey is PVZKBQMWQRUUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3.
What are the key properties of 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one?
2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one has a molecular weight of 302.33 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one is sourced from PubChem (CID 638391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).