benzene-1,4-diol;pentane-2,4-dione

C11H14O4 — CID 66906799

IUPACbenzene-1,4-diol;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C5H8O2/c7-5-1-2-6(8)4-3-5;1-4(6)3-5(2)7/h1-4,7-8H;3H2,1-2H3
InChIKeyLCRKVOBMOUWCEA-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.65
Rot. Bonds2

About benzene-1,4-diol;pentane-2,4-dione

benzene-1,4-diol;pentane-2,4-dione (PubChem CID 66906799) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is benzene-1,4-diol;pentane-2,4-dione.

Molecular Properties

Compound Namebenzene-1,4-diol;pentane-2,4-dione
PubChem CID66906799
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namebenzene-1,4-diol;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C5H8O2/c7-5-1-2-6(8)4-3-5;1-4(6)3-5(2)7/h1-4,7-8H;3H2,1-2H3
InChIKeyLCRKVOBMOUWCEA-UHFFFAOYSA-N
XLogP1.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyphenyl)propan-2-one
CID 7019274
CID 159548628
CID 159548628
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
barium(2+);pentane-2,4-dione
CID 23298949
potassium pentane-2,4-dione
CID 19762724
CID 15855332
CID 15855332
bis(benzene-1,4-diol);carbonic acid;propane
CID 70469220
1-(4-hydroxy-N-methylanilino)propan-2-one
CID 12814770
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;pentane-2,4-dione?
The IUPAC name of benzene-1,4-diol;pentane-2,4-dione (CID 66906799) is benzene-1,4-diol;pentane-2,4-dione.
What is the SMILES notation for benzene-1,4-diol;pentane-2,4-dione?
The canonical SMILES for benzene-1,4-diol;pentane-2,4-dione is CC(=O)CC(C)=O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;pentane-2,4-dione?
The InChIKey is LCRKVOBMOUWCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C5H8O2/c7-5-1-2-6(8)4-3-5;1-4(6)3-5(2)7/h1-4,7-8H;3H2,1-2H3.
What are the key properties of benzene-1,4-diol;pentane-2,4-dione?
benzene-1,4-diol;pentane-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;pentane-2,4-dione is sourced from PubChem (CID 66906799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).