2-methoxy-9-phenylphenalen-1-one

C20H14O2 — CID 10085389

IUPAC2-methoxy-9-phenylphenalen-1-one
SMILESCOC1=Cc2cccc3ccc(-c4ccccc4)c(c23)C1=O
InChIInChI=1S/C20H14O2/c1-22-17-12-15-9-5-8-14-10-11-16(13-6-3-2-4-7-13)19(18(14)15)20(17)21/h2-12H,1H3
InChIKeyNXRGWQRQXPUQSX-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.69
Rot. Bonds2

About 2-methoxy-9-phenylphenalen-1-one

2-methoxy-9-phenylphenalen-1-one (PubChem CID 10085389) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methoxy-9-phenylphenalen-1-one.

Molecular Properties

Compound Name2-methoxy-9-phenylphenalen-1-one
PubChem CID10085389
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name2-methoxy-9-phenylphenalen-1-one
SMILESCOC1=Cc2cccc3ccc(-c4ccccc4)c(c23)C1=O
InChIInChI=1S/C20H14O2/c1-22-17-12-15-9-5-8-14-10-11-16(13-6-3-2-4-7-13)19(18(14)15)20(17)21/h2-12H,1H3
InChIKeyNXRGWQRQXPUQSX-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-phenylphenalen-1-one?
The IUPAC name of 2-methoxy-9-phenylphenalen-1-one (CID 10085389) is 2-methoxy-9-phenylphenalen-1-one.
What is the SMILES notation for 2-methoxy-9-phenylphenalen-1-one?
The canonical SMILES for 2-methoxy-9-phenylphenalen-1-one is COC1=Cc2cccc3ccc(-c4ccccc4)c(c23)C1=O.
What is the InChIKey of 2-methoxy-9-phenylphenalen-1-one?
The InChIKey is NXRGWQRQXPUQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-22-17-12-15-9-5-8-14-10-11-16(13-6-3-2-4-7-13)19(18(14)15)20(17)21/h2-12H,1H3.
What are the key properties of 2-methoxy-9-phenylphenalen-1-one?
2-methoxy-9-phenylphenalen-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-phenylphenalen-1-one is sourced from PubChem (CID 10085389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).