3-methoxy-2-phenylphenalen-1-one

C20H14O2 — CID 14291753

IUPAC3-methoxy-2-phenylphenalen-1-one
SMILESCOC1=C(c2ccccc2)C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H14O2/c1-22-20-16-12-6-10-13-9-5-11-15(17(13)16)19(21)18(20)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyVXGFQRRPKSSZNL-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.55
Rot. Bonds2

About 3-methoxy-2-phenylphenalen-1-one

3-methoxy-2-phenylphenalen-1-one (PubChem CID 14291753) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methoxy-2-phenylphenalen-1-one.

Molecular Properties

Compound Name3-methoxy-2-phenylphenalen-1-one
PubChem CID14291753
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name3-methoxy-2-phenylphenalen-1-one
SMILESCOC1=C(c2ccccc2)C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H14O2/c1-22-20-16-12-6-10-13-9-5-11-15(17(13)16)19(21)18(20)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyVXGFQRRPKSSZNL-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_ene_one_A(1)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 3885
CID 3885
CID 11425923
CID 11425923
CID 61225
CID 61225
CID 139030
CID 139030
CID 10085389
CID 10085389
CID 223824
CID 223824
CID 77267
CID 77267
CID 94304
CID 94304
CID 57525
CID 57525
CID 137605
CID 137605
CID 11818168
CID 11818168
CID 343759
CID 343759

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenylphenalen-1-one?
The IUPAC name of 3-methoxy-2-phenylphenalen-1-one (CID 14291753) is 3-methoxy-2-phenylphenalen-1-one.
What is the SMILES notation for 3-methoxy-2-phenylphenalen-1-one?
The canonical SMILES for 3-methoxy-2-phenylphenalen-1-one is COC1=C(c2ccccc2)C(=O)c2cccc3cccc1c23.
What is the InChIKey of 3-methoxy-2-phenylphenalen-1-one?
The InChIKey is VXGFQRRPKSSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-22-20-16-12-6-10-13-9-5-11-15(17(13)16)19(21)18(20)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 3-methoxy-2-phenylphenalen-1-one?
3-methoxy-2-phenylphenalen-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylphenalen-1-one is sourced from PubChem (CID 14291753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).