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

C19H17BrO2 — CID 159686937

IUPAC4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane
SMILESC.Oc1ccc(-c2ccc(Br)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H13BrO2.CH4/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;1H4
InChIKeyMVXMAJWCPZZZBK-UHFFFAOYSA-N
MW357.25 g/mol
LogP5.83
Rot. Bonds2

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

4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane (PubChem CID 159686937) has the molecular formula C19H17BrO2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane.

Molecular Properties

Compound Name4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane
PubChem CID159686937
Molecular FormulaC19H17BrO2
Molecular Weight357.25 g/mol
Exact Mass356.04
IUPAC Name4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane
SMILESC.Oc1ccc(-c2ccc(Br)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H13BrO2.CH4/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;1H4
InChIKeyMVXMAJWCPZZZBK-UHFFFAOYSA-N
XLogP5.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.25
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane?
The IUPAC name of 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane (CID 159686937) is 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane.
What is the SMILES notation for 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane?
The canonical SMILES for 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane is C.Oc1ccc(-c2ccc(Br)cc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane?
The InChIKey is MVXMAJWCPZZZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO2.CH4/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;1H4.
What are the key properties of 4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane?
4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane has a molecular weight of 357.25 g/mol, XLogP of 5.83, 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;methane is sourced from PubChem (CID 159686937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).