2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one

C20H16O3 — CID 46906621

IUPAC2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one
SMILESCOC1c2cccc3ccc(-c4ccccc4)c(c23)C(=O)C1O
InChIInChI=1S/C20H16O3/c1-23-20-15-9-5-8-13-10-11-14(12-6-3-2-4-7-12)17(16(13)15)18(21)19(20)22/h2-11,19-20,22H,1H3
InChIKeyPQHWOIAWYDBESZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.75
Rot. Bonds2

About 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one

2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one (PubChem CID 46906621) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one
PubChem CID46906621
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one
SMILESCOC1c2cccc3ccc(-c4ccccc4)c(c23)C(=O)C1O
InChIInChI=1S/C20H16O3/c1-23-20-15-9-5-8-13-10-11-14(12-6-3-2-4-7-12)17(16(13)15)18(21)19(20)22/h2-11,19-20,22H,1H3
InChIKeyPQHWOIAWYDBESZ-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one?
The IUPAC name of 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one (CID 46906621) is 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one.
What is the SMILES notation for 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one?
The canonical SMILES for 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one is COC1c2cccc3ccc(-c4ccccc4)c(c23)C(=O)C1O.
What is the InChIKey of 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one?
The InChIKey is PQHWOIAWYDBESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-23-20-15-9-5-8-13-10-11-14(12-6-3-2-4-7-12)17(16(13)15)18(21)19(20)22/h2-11,19-20,22H,1H3.
What are the key properties of 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one?
2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-9-phenyl-2,3-dihydrophenalen-1-one is sourced from PubChem (CID 46906621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).