3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol

C24H18O3 — CID 14911479

IUPAC3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
SMILESOc1cccc(-c2cc(-c3cccc(O)c3)cc(-c3cccc(O)c3)c2)c1
InChIInChI=1S/C24H18O3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15,25-27H
InChIKeyRBLAFRRFNYBRHL-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.80
Rot. Bonds3

About 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol

3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol (PubChem CID 14911479) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol.

Molecular Properties

Compound Name3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
PubChem CID14911479
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
SMILESOc1cccc(-c2cc(-c3cccc(O)c3)cc(-c3cccc(O)c3)c2)c1
InChIInChI=1S/C24H18O3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15,25-27H
InChIKeyRBLAFRRFNYBRHL-UHFFFAOYSA-N
XLogP5.80
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-bromophenyl)phenyl]phenol
CID 139685507
octalen-2-ol
CID 174999308
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
3-(3,4,5-trimethylphenyl)phenol
CID 101298838
3-(4-chlorophenyl)phenol
CID 3015395
3-(3-chlorophenyl)phenol;ethane
CID 142088616
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
bis(benzene-1,3-diol);hydrate
CID 174320343
benzene-1,3-diol;tris(yttrium)
CID 23386139

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol?
The IUPAC name of 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol (CID 14911479) is 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol.
What is the SMILES notation for 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol?
The canonical SMILES for 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol is Oc1cccc(-c2cc(-c3cccc(O)c3)cc(-c3cccc(O)c3)c2)c1.
What is the InChIKey of 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol?
The InChIKey is RBLAFRRFNYBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15,25-27H.
What are the key properties of 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol?
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol has a molecular weight of 354.41 g/mol, XLogP of 5.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol is sourced from PubChem (CID 14911479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).