benzene-1,4-diol;bis(1,1'-biphenyl)

C30H26O2 — CID 161250566

IUPACbenzene-1,4-diol;bis(1,1'-biphenyl)
SMILESOc1ccc(O)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.C6H6O2/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-5-1-2-6(8)4-3-5/h2*1-10H;1-4,7-8H
InChIKeyVBFFTALXBWJNPL-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.80
Rot. Bonds2

About benzene-1,4-diol;bis(1,1'-biphenyl)

benzene-1,4-diol;bis(1,1'-biphenyl) (PubChem CID 161250566) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is benzene-1,4-diol;bis(1,1'-biphenyl).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(1,1'-biphenyl)
PubChem CID161250566
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Namebenzene-1,4-diol;bis(1,1'-biphenyl)
SMILESOc1ccc(O)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.C6H6O2/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-5-1-2-6(8)4-3-5/h2*1-10H;1-4,7-8H
InChIKeyVBFFTALXBWJNPL-UHFFFAOYSA-N
XLogP7.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.80
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

benzene;1,1'-biphenyl;phenol
CID 159528072
1,1'-biphenyl;naphthalene;phenol
CID 159002551
1,1'-biphenyl;bis(4-diphenylphosphanylphenol)
CID 172747492
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
benzene;tris(1,1'-biphenyl)
CID 162155747
acetyl chloride;4-phenylphenol
CID 174878083
bis(1,1'-biphenyl);ethane;phenol;propane
CID 159973913
sodium;hydride;2-phenylphenol;4-phenylphenol
CID 173165495
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
octalen-2-ol
CID 174999308
1,1'-biphenyl;phenol;triphenylphosphane
CID 173130424

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(1,1'-biphenyl)?
The IUPAC name of benzene-1,4-diol;bis(1,1'-biphenyl) (CID 161250566) is benzene-1,4-diol;bis(1,1'-biphenyl).
What is the SMILES notation for benzene-1,4-diol;bis(1,1'-biphenyl)?
The canonical SMILES for benzene-1,4-diol;bis(1,1'-biphenyl) is Oc1ccc(O)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of benzene-1,4-diol;bis(1,1'-biphenyl)?
The InChIKey is VBFFTALXBWJNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10.C6H6O2/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-5-1-2-6(8)4-3-5/h2*1-10H;1-4,7-8H.
What are the key properties of benzene-1,4-diol;bis(1,1'-biphenyl)?
benzene-1,4-diol;bis(1,1'-biphenyl) has a molecular weight of 418.54 g/mol, XLogP of 7.80, 2 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(1,1'-biphenyl) is sourced from PubChem (CID 161250566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).