benzene-1,4-diol;bis(1,2-xylene)

C22H26O2 — CID 175366536

IUPACbenzene-1,4-diol;bis(1,2-xylene)
SMILESCc1ccccc1C.Cc1ccccc1C.Oc1ccc(O)cc1
InChIInChI=1S/2C8H10.C6H6O2/c2*1-7-5-3-4-6-8(7)2;7-5-1-2-6(8)4-3-5/h2*3-6H,1-2H3;1-4,7-8H
InChIKeyHHZPEIYWPKNNLH-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.70
Rot. Bonds

About benzene-1,4-diol;bis(1,2-xylene)

benzene-1,4-diol;bis(1,2-xylene) (PubChem CID 175366536) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is benzene-1,4-diol;bis(1,2-xylene).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(1,2-xylene)
PubChem CID175366536
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Namebenzene-1,4-diol;bis(1,2-xylene)
SMILESCc1ccccc1C.Cc1ccccc1C.Oc1ccc(O)cc1
InChIInChI=1S/2C8H10.C6H6O2/c2*1-7-5-3-4-6-8(7)2;7-5-1-2-6(8)4-3-5/h2*3-6H,1-2H3;1-4,7-8H
InChIKeyHHZPEIYWPKNNLH-UHFFFAOYSA-N
XLogP5.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1,2-xylene
CID 173422016
2-methylphenol;bis(4-methylphenol)
CID 160575641
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
benzene-1,2,3-triol;1,2-xylene
CID 175355365
phenol;1,2,4,5-tetramethylbenzene
CID 158089853
ethane;1,2-xylene;dihydrochloride
CID 174677530

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(1,2-xylene)?
The IUPAC name of benzene-1,4-diol;bis(1,2-xylene) (CID 175366536) is benzene-1,4-diol;bis(1,2-xylene).
What is the SMILES notation for benzene-1,4-diol;bis(1,2-xylene)?
The canonical SMILES for benzene-1,4-diol;bis(1,2-xylene) is Cc1ccccc1C.Cc1ccccc1C.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;bis(1,2-xylene)?
The InChIKey is HHZPEIYWPKNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.C6H6O2/c2*1-7-5-3-4-6-8(7)2;7-5-1-2-6(8)4-3-5/h2*3-6H,1-2H3;1-4,7-8H.
What are the key properties of benzene-1,4-diol;bis(1,2-xylene)?
benzene-1,4-diol;bis(1,2-xylene) has a molecular weight of 322.45 g/mol, XLogP of 5.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(1,2-xylene) is sourced from PubChem (CID 175366536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).