bis(benzene-1,4-diol);benzylbenzene

C25H24O4 — CID 159915102

IUPACbis(benzene-1,4-diol);benzylbenzene
SMILESOc1ccc(O)cc1.Oc1ccc(O)cc1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.2C6H6O2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*7-5-1-2-6(8)4-3-5/h1-10H,11H2;2*1-4,7-8H
InChIKeyNXRFLJCULPDZHZ-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.47
Rot. Bonds2

About bis(benzene-1,4-diol);benzylbenzene

bis(benzene-1,4-diol);benzylbenzene (PubChem CID 159915102) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is bis(benzene-1,4-diol);benzylbenzene.

Molecular Properties

Compound Namebis(benzene-1,4-diol);benzylbenzene
PubChem CID159915102
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Namebis(benzene-1,4-diol);benzylbenzene
SMILESOc1ccc(O)cc1.Oc1ccc(O)cc1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.2C6H6O2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*7-5-1-2-6(8)4-3-5/h1-10H,11H2;2*1-4,7-8H
InChIKeyNXRFLJCULPDZHZ-UHFFFAOYSA-N
XLogP5.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 131886054
CID 131886054
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
phenyl(113C)methylbenzene
CID 11194569
4-(3-benzylphenyl)phenol
CID 101277658
4-[(4-phenylsulfanylphenyl)methyl]phenol
CID 175400432
4-[(4-diphenylphosphanylphenyl)methyl]phenol
CID 141151441
potassium;benzylbenzene;hydride
CID 173011788
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol
CID 159586840
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,4-diol);benzylbenzene?
The IUPAC name of bis(benzene-1,4-diol);benzylbenzene (CID 159915102) is bis(benzene-1,4-diol);benzylbenzene.
What is the SMILES notation for bis(benzene-1,4-diol);benzylbenzene?
The canonical SMILES for bis(benzene-1,4-diol);benzylbenzene is Oc1ccc(O)cc1.Oc1ccc(O)cc1.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of bis(benzene-1,4-diol);benzylbenzene?
The InChIKey is NXRFLJCULPDZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.2C6H6O2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*7-5-1-2-6(8)4-3-5/h1-10H,11H2;2*1-4,7-8H.
What are the key properties of bis(benzene-1,4-diol);benzylbenzene?
bis(benzene-1,4-diol);benzylbenzene has a molecular weight of 388.46 g/mol, XLogP of 5.47, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,4-diol);benzylbenzene is sourced from PubChem (CID 159915102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).