4-[2-(4-bromophenyl)-6-chlorophenyl]phenol

C18H12BrClO — CID 173457120

IUPAC4-[2-(4-bromophenyl)-6-chlorophenyl]phenol
SMILESOc1ccc(-c2c(Cl)cccc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H12BrClO/c19-14-8-4-12(5-9-14)16-2-1-3-17(20)18(16)13-6-10-15(21)11-7-13/h1-11,21H
InChIKeyAAGPIPUKNMPCPX-UHFFFAOYSA-N
MW359.65 g/mol
LogP6.14
Rot. Bonds2

About 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol

4-[2-(4-bromophenyl)-6-chlorophenyl]phenol (PubChem CID 173457120) has the molecular formula C18H12BrClO and a molecular weight of 359.65 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-6-chlorophenyl]phenol
PubChem CID173457120
Molecular FormulaC18H12BrClO
Molecular Weight359.65 g/mol
Exact Mass357.98
IUPAC Name4-[2-(4-bromophenyl)-6-chlorophenyl]phenol
SMILESOc1ccc(-c2c(Cl)cccc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H12BrClO/c19-14-8-4-12(5-9-14)16-2-1-3-17(20)18(16)13-6-10-15(21)11-7-13/h1-11,21H
InChIKeyAAGPIPUKNMPCPX-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.65
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol?
The IUPAC name of 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol (CID 173457120) is 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol.
What is the SMILES notation for 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol?
The canonical SMILES for 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol is Oc1ccc(-c2c(Cl)cccc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol?
The InChIKey is AAGPIPUKNMPCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClO/c19-14-8-4-12(5-9-14)16-2-1-3-17(20)18(16)13-6-10-15(21)11-7-13/h1-11,21H.
What are the key properties of 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol?
4-[2-(4-bromophenyl)-6-chlorophenyl]phenol has a molecular weight of 359.65 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-6-chlorophenyl]phenol is sourced from PubChem (CID 173457120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).