benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol

C31H26O2 — CID 159586840

IUPACbenzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol
SMILESOc1ccccc1-c1ccccc1-c1ccccc1O.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H14O2.C13H12/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-12,19-20H;1-10H,11H2
InChIKeyMJSLNZPCHRZKOI-UHFFFAOYSA-N
MW430.55 g/mol
LogP7.71
Rot. Bonds4

About benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol

benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol (PubChem CID 159586840) has the molecular formula C31H26O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol.

Molecular Properties

Compound Namebenzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol
PubChem CID159586840
Molecular FormulaC31H26O2
Molecular Weight430.55 g/mol
Exact Mass430.19
IUPAC Namebenzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol
SMILESOc1ccccc1-c1ccccc1-c1ccccc1O.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H14O2.C13H12/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-12,19-20H;1-10H,11H2
InChIKeyMJSLNZPCHRZKOI-UHFFFAOYSA-N
XLogP7.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,5-tribenzylphenyl)phenol
CID 101277696
phenyl(113C)methylbenzene
CID 11194569
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
CID 131886054
CID 131886054
potassium;benzylbenzene;hydride
CID 173011788
2-[2-[4-[2-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenol
CID 71519972
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol
CID 71046395
benzylbenzene;phosphoric acid
CID 161249494

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol?
The IUPAC name of benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol (CID 159586840) is benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol.
What is the SMILES notation for benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol?
The canonical SMILES for benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol is Oc1ccccc1-c1ccccc1-c1ccccc1O.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol?
The InChIKey is MJSLNZPCHRZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2.C13H12/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-12,19-20H;1-10H,11H2.
What are the key properties of benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol?
benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol has a molecular weight of 430.55 g/mol, XLogP of 7.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol is sourced from PubChem (CID 159586840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).