benzene;1,1'-biphenyl;phenol

C24H22O — CID 159528072

IUPACbenzene;1,1'-biphenyl;phenol
SMILESOc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C12H10.C6H6O.C6H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-10H;1-5,7H;1-6H
InChIKeyMCQCAHBPVYYTTN-UHFFFAOYSA-N
MW326.44 g/mol
LogP6.43
Rot. Bonds1

About benzene;1,1'-biphenyl;phenol

benzene;1,1'-biphenyl;phenol (PubChem CID 159528072) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;phenol.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;phenol
PubChem CID159528072
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Namebenzene;1,1'-biphenyl;phenol
SMILESOc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C12H10.C6H6O.C6H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-10H;1-5,7H;1-6H
InChIKeyMCQCAHBPVYYTTN-UHFFFAOYSA-N
XLogP6.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
1,1'-biphenyl;naphthalene;phenol
CID 159002551
bis(1,1'-biphenyl);ethane;phenol;propane
CID 159973913
phenol;chloride
CID 23313261
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
aluminum phenol
CID 19023057

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;phenol?
The IUPAC name of benzene;1,1'-biphenyl;phenol (CID 159528072) is benzene;1,1'-biphenyl;phenol.
What is the SMILES notation for benzene;1,1'-biphenyl;phenol?
The canonical SMILES for benzene;1,1'-biphenyl;phenol is Oc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;1,1'-biphenyl;phenol?
The InChIKey is MCQCAHBPVYYTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H6O.C6H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-10H;1-5,7H;1-6H.
What are the key properties of benzene;1,1'-biphenyl;phenol?
benzene;1,1'-biphenyl;phenol has a molecular weight of 326.44 g/mol, XLogP of 6.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;phenol is sourced from PubChem (CID 159528072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).