4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol

C18H13BrO2 — CID 159686938

IUPAC4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol
SMILESOc1ccc(-c2ccc(Br)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H13BrO2/c19-14-5-10-17(12-1-6-15(20)7-2-12)18(11-14)13-3-8-16(21)9-4-13/h1-11,20-21H
InChIKeyBDCZGFBDGPGYMH-UHFFFAOYSA-N
MW341.20 g/mol
LogP5.19
Rot. Bonds2

About 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol

4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol (PubChem CID 159686938) has the molecular formula C18H13BrO2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol
PubChem CID159686938
Molecular FormulaC18H13BrO2
Molecular Weight341.20 g/mol
Exact Mass340.01
IUPAC Name4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol
SMILESOc1ccc(-c2ccc(Br)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H13BrO2/c19-14-5-10-17(12-1-6-15(20)7-2-12)18(11-14)13-3-8-16(21)9-4-13/h1-11,20-21H
InChIKeyBDCZGFBDGPGYMH-UHFFFAOYSA-N
XLogP5.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.20
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane
CID 159686937
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
4-(2,5-dibromophenyl)phenol
CID 86165332
4-(4-bromo-2-ethylphenyl)phenol
CID 118355100
4-(5-bromo-2-ethylphenyl)phenol
CID 174859621
4-(2-bromo-4-methylphenyl)phenol
CID 175328096
4-[2-(4-bromophenyl)-6-chlorophenyl]phenol
CID 173457120
4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
CID 175428259
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
3-bromo-6-hydroxyphenanthrene-9,10-dione
CID 67151152
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol?
The IUPAC name of 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol (CID 159686938) is 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol.
What is the SMILES notation for 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol?
The canonical SMILES for 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol is Oc1ccc(-c2ccc(Br)cc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol?
The InChIKey is BDCZGFBDGPGYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO2/c19-14-5-10-17(12-1-6-15(20)7-2-12)18(11-14)13-3-8-16(21)9-4-13/h1-11,20-21H.
What are the key properties of 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol?
4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol has a molecular weight of 341.20 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol is sourced from PubChem (CID 159686938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).