3-[3-(3-bromophenyl)phenyl]phenol

C18H13BrO — CID 139685507

IUPAC3-[3-(3-bromophenyl)phenyl]phenol
SMILESOc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1
InChIInChI=1S/C18H13BrO/c19-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(20)12-16/h1-12,20H
InChIKeyYCQRCIFAZVVWKO-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.49
Rot. Bonds2

About 3-[3-(3-bromophenyl)phenyl]phenol

3-[3-(3-bromophenyl)phenyl]phenol (PubChem CID 139685507) has the molecular formula C18H13BrO and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-[3-(3-bromophenyl)phenyl]phenol.

Molecular Properties

Compound Name3-[3-(3-bromophenyl)phenyl]phenol
PubChem CID139685507
Molecular FormulaC18H13BrO
Molecular Weight325.21 g/mol
Exact Mass324.01
IUPAC Name3-[3-(3-bromophenyl)phenyl]phenol
SMILESOc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1
InChIInChI=1S/C18H13BrO/c19-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(20)12-16/h1-12,20H
InChIKeyYCQRCIFAZVVWKO-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromophenyl)phenyl]phenol?
The IUPAC name of 3-[3-(3-bromophenyl)phenyl]phenol (CID 139685507) is 3-[3-(3-bromophenyl)phenyl]phenol.
What is the SMILES notation for 3-[3-(3-bromophenyl)phenyl]phenol?
The canonical SMILES for 3-[3-(3-bromophenyl)phenyl]phenol is Oc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.
What is the InChIKey of 3-[3-(3-bromophenyl)phenyl]phenol?
The InChIKey is YCQRCIFAZVVWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO/c19-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(20)12-16/h1-12,20H.
What are the key properties of 3-[3-(3-bromophenyl)phenyl]phenol?
3-[3-(3-bromophenyl)phenyl]phenol has a molecular weight of 325.21 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromophenyl)phenyl]phenol is sourced from PubChem (CID 139685507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).