8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione

C15H14O4 — CID 46885663

IUPAC8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione
SMILESCC(C)=CCOC1=CC(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C15H14O4/c1-9(2)6-7-19-13-8-12(17)10-4-3-5-11(16)14(10)15(13)18/h3-6,8,16H,7H2,1-2H3
InChIKeyOYDIXRMPBMRIDP-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.64
Rot. Bonds3

About 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione

8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione (PubChem CID 46885663) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione.

Molecular Properties

Compound Name8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione
PubChem CID46885663
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione
SMILESCC(C)=CCOC1=CC(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C15H14O4/c1-9(2)6-7-19-13-8-12(17)10-4-3-5-11(16)14(10)15(13)18/h3-6,8,16H,7H2,1-2H3
InChIKeyOYDIXRMPBMRIDP-UHFFFAOYSA-N
XLogP2.64
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
5-hydroxy-2-propoxynaphthalene-1,4-dione
CID 162848095
2-tert-butyl-8-hydroxynaphthalene-1,4-dione
CID 14866885
8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
CID 11132493
N-[7-[2-(dimethylamino)ethoxy]-5,8-dioxonaphthalen-1-yl]acetamide
CID 129281536
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
2-methyl-6-(3-methylbut-2-enoxy)aniline
CID 107899463
2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
CID 101239649
2-anilino-8-hydroxynaphthalene-1,4-dione
CID 73355164
4,5-dihydroxy-3-(8-hydroxy-1,4-dioxonaphthalen-2-yl)naphthalene-1,2-dione
CID 632371
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione?
The IUPAC name of 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione (CID 46885663) is 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione.
What is the SMILES notation for 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione?
The canonical SMILES for 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione is CC(C)=CCOC1=CC(=O)c2cccc(O)c2C1=O.
What is the InChIKey of 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione?
The InChIKey is OYDIXRMPBMRIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-9(2)6-7-19-13-8-12(17)10-4-3-5-11(16)14(10)15(13)18/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione?
8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione has a molecular weight of 258.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione is sourced from PubChem (CID 46885663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).