2-cyclopropyloxynaphthalene-1,4-dione

C13H10O3 — CID 139943522

IUPAC2-cyclopropyloxynaphthalene-1,4-dione
SMILESO=C1C=C(OC2CC2)C(=O)c2ccccc21
InChIInChI=1S/C13H10O3/c14-11-7-12(16-8-5-6-8)13(15)10-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2
InChIKeyZHJPFHLFBGJRBP-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.13
Rot. Bonds2

About 2-cyclopropyloxynaphthalene-1,4-dione

2-cyclopropyloxynaphthalene-1,4-dione (PubChem CID 139943522) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-cyclopropyloxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-cyclopropyloxynaphthalene-1,4-dione
PubChem CID139943522
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name2-cyclopropyloxynaphthalene-1,4-dione
SMILESO=C1C=C(OC2CC2)C(=O)c2ccccc21
InChIInChI=1S/C13H10O3/c14-11-7-12(16-8-5-6-8)13(15)10-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2
InChIKeyZHJPFHLFBGJRBP-UHFFFAOYSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.13
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-cycloheptyloxynaphthalene-1,4-dione
CID 177248669
(1,4-dioxonaphthalen-2-yl) formate
CID 175556159
2-(chloromethoxy)naphthalene-1,4-dione
CID 139943369
(1,4-dioxonaphthalen-2-yl) benzenesulfonate
CID 23275962
2-cyclododecylnaphthalene-1,4-dione
CID 142748981
ethyl 2-(1,4-dioxonaphthalen-2-yl)oxypropanoate
CID 170944084
2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione
CID 139943473
2-methylnaphthalene-1,4-dione
CID 102070817
2-chloronaphthalene-1,4-dione
CID 12503870
2-(1,3-dioxolan-2-yl)naphthalene-1,4-dione
CID 12624473
2-(3-methyl-4-phosphanylbutoxy)naphthalene-1,4-dione
CID 144551872
2-chloronaphthalene-1,4-dione;sulfane
CID 174978325

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxynaphthalene-1,4-dione?
The IUPAC name of 2-cyclopropyloxynaphthalene-1,4-dione (CID 139943522) is 2-cyclopropyloxynaphthalene-1,4-dione.
What is the SMILES notation for 2-cyclopropyloxynaphthalene-1,4-dione?
The canonical SMILES for 2-cyclopropyloxynaphthalene-1,4-dione is O=C1C=C(OC2CC2)C(=O)c2ccccc21.
What is the InChIKey of 2-cyclopropyloxynaphthalene-1,4-dione?
The InChIKey is ZHJPFHLFBGJRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-11-7-12(16-8-5-6-8)13(15)10-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2.
What are the key properties of 2-cyclopropyloxynaphthalene-1,4-dione?
2-cyclopropyloxynaphthalene-1,4-dione has a molecular weight of 214.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxynaphthalene-1,4-dione is sourced from PubChem (CID 139943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).