1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol

C18H16O3 — CID 21407139

IUPAC1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC=CC(O)(c2cccc(-c3ccccc3)c2O)C1
InChIInChI=1S/C18H16O3/c19-14-8-5-11-18(21,12-14)16-10-4-9-15(17(16)20)13-6-2-1-3-7-13/h1-11,19-21H,12H2
InChIKeyZKNWZIXWKXSARP-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.65
Rot. Bonds2

About 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol

1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol (PubChem CID 21407139) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol
PubChem CID21407139
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC=CC(O)(c2cccc(-c3ccccc3)c2O)C1
InChIInChI=1S/C18H16O3/c19-14-8-5-11-18(21,12-14)16-10-4-9-15(17(16)20)13-6-2-1-3-7-13/h1-11,19-21H,12H2
InChIKeyZKNWZIXWKXSARP-UHFFFAOYSA-N
XLogP3.65
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)
CID 134902847
5-(2-phenylphenyl)indeno[1,2-b]pyridin-5-ol
CID 59760565
5-phenyl-4-(2-phenylphenyl)cyclohexa-2,4-diene-1,1-diol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol (CID 21407139) is 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol is OC1=CC=CC(O)(c2cccc(-c3ccccc3)c2O)C1.
What is the InChIKey of 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol?
The InChIKey is ZKNWZIXWKXSARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-14-8-5-11-18(21,12-14)16-10-4-9-15(17(16)20)13-6-2-1-3-7-13/h1-11,19-21H,12H2.
What are the key properties of 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol?
1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol has a molecular weight of 280.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylphenyl)cyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 21407139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).