2-bromo-3-(3-phenylphenyl)phenol

C18H13BrO — CID 174643694

IUPAC2-bromo-3-(3-phenylphenyl)phenol
SMILESOc1cccc(-c2cccc(-c3ccccc3)c2)c1Br
InChIInChI=1S/C18H13BrO/c19-18-16(10-5-11-17(18)20)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-12,20H
InChIKeyQMALRMFJNPNLEO-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.49
Rot. Bonds2

About 2-bromo-3-(3-phenylphenyl)phenol

2-bromo-3-(3-phenylphenyl)phenol (PubChem CID 174643694) has the molecular formula C18H13BrO and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-bromo-3-(3-phenylphenyl)phenol.

Molecular Properties

Compound Name2-bromo-3-(3-phenylphenyl)phenol
PubChem CID174643694
Molecular FormulaC18H13BrO
Molecular Weight325.21 g/mol
Exact Mass324.01
IUPAC Name2-bromo-3-(3-phenylphenyl)phenol
SMILESOc1cccc(-c2cccc(-c3ccccc3)c2)c1Br
InChIInChI=1S/C18H13BrO/c19-18-16(10-5-11-17(18)20)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-12,20H
InChIKeyQMALRMFJNPNLEO-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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Related Compounds

tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
2-[3-(4-methylphenyl)phenyl]phenol
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6-(3-phenylphenyl)dibenzofuran-1-ol
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2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
CID 174096319
CID 174096319
2-(2,6-dimethylphenyl)-6-(3-phenylphenyl)phenol
CID 154618821
[2-(3-phenylphenyl)phenyl]boronic acid
CID 23033858
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-phenylphenyl)phenol?
The IUPAC name of 2-bromo-3-(3-phenylphenyl)phenol (CID 174643694) is 2-bromo-3-(3-phenylphenyl)phenol.
What is the SMILES notation for 2-bromo-3-(3-phenylphenyl)phenol?
The canonical SMILES for 2-bromo-3-(3-phenylphenyl)phenol is Oc1cccc(-c2cccc(-c3ccccc3)c2)c1Br.
What is the InChIKey of 2-bromo-3-(3-phenylphenyl)phenol?
The InChIKey is QMALRMFJNPNLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO/c19-18-16(10-5-11-17(18)20)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-12,20H.
What are the key properties of 2-bromo-3-(3-phenylphenyl)phenol?
2-bromo-3-(3-phenylphenyl)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 2-bromo-3-(3-phenylphenyl)phenol is sourced from PubChem (CID 174643694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).