2-methoxy-3-phenylnaphthalene-1,4-dione

C17H12O3 — CID 793869

IUPAC2-methoxy-3-phenylnaphthalene-1,4-dione
SMILESCOC1=C(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12O3/c1-20-17-14(11-7-3-2-4-8-11)15(18)12-9-5-6-10-13(12)16(17)19/h2-10H,1H3
InChIKeyIUVQZJLHOTZWBW-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.12
Rot. Bonds2

About 2-methoxy-3-phenylnaphthalene-1,4-dione

2-methoxy-3-phenylnaphthalene-1,4-dione (PubChem CID 793869) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methoxy-3-phenylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-3-phenylnaphthalene-1,4-dione
PubChem CID793869
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-methoxy-3-phenylnaphthalene-1,4-dione
SMILESCOC1=C(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12O3/c1-20-17-14(11-7-3-2-4-8-11)15(18)12-9-5-6-10-13(12)16(17)19/h2-10H,1H3
InChIKeyIUVQZJLHOTZWBW-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-1,4-Naphthoquinone
CID 16871
Acequinocyl
CID 93315
2,3-Dimethoxy-1,4-naphthoquinone
CID 3136
Xyloidone
CID 72734
3,4-Dihydro-2,2-dimethyl-2H-naphtho(2,3-b)pyran-5,10-dione
CID 72732
2-methoxy-9-phenyl-1H-phenalen-1-one
CID 10085389
1,4-Naphthalenedione, 2-chloro-3-ethoxy-
CID 43050
2-Isopropenyl-2,3-dihydronaphtho[2,3-b]furan-4,9-dione
CID 364109
2-Chloro-3-methoxy-1,4-naphthalenedione
CID 27459
methyl 2-methyl-5,10-dioxo-2H,5H,10H-benzo[g]chromene-2-carboxylate
CID 24822271
Nor-alpha-lapachone
CID 14841859
Isonaphthazarine
CID 135441721

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenylnaphthalene-1,4-dione?
The IUPAC name of 2-methoxy-3-phenylnaphthalene-1,4-dione (CID 793869) is 2-methoxy-3-phenylnaphthalene-1,4-dione.
What is the SMILES notation for 2-methoxy-3-phenylnaphthalene-1,4-dione?
The canonical SMILES for 2-methoxy-3-phenylnaphthalene-1,4-dione is COC1=C(c2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methoxy-3-phenylnaphthalene-1,4-dione?
The InChIKey is IUVQZJLHOTZWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-20-17-14(11-7-3-2-4-8-11)15(18)12-9-5-6-10-13(12)16(17)19/h2-10H,1H3.
What are the key properties of 2-methoxy-3-phenylnaphthalene-1,4-dione?
2-methoxy-3-phenylnaphthalene-1,4-dione has a molecular weight of 264.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenylnaphthalene-1,4-dione is sourced from PubChem (CID 793869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).