3-[(5-bromo-2-chlorophenyl)methyl]phenol

C13H10BrClO — CID 67072862

IUPAC3-[(5-bromo-2-chlorophenyl)methyl]phenol
SMILESOc1cccc(Cc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H10BrClO/c14-11-4-5-13(15)10(8-11)6-9-2-1-3-12(16)7-9/h1-5,7-8,16H,6H2
InChIKeyHMGSGVWEBVIVDF-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.40
Rot. Bonds2

About 3-[(5-bromo-2-chlorophenyl)methyl]phenol

3-[(5-bromo-2-chlorophenyl)methyl]phenol (PubChem CID 67072862) has the molecular formula C13H10BrClO and a molecular weight of 297.58 g/mol. Its IUPAC name is 3-[(5-bromo-2-chlorophenyl)methyl]phenol.

Molecular Properties

Compound Name3-[(5-bromo-2-chlorophenyl)methyl]phenol
PubChem CID67072862
Molecular FormulaC13H10BrClO
Molecular Weight297.58 g/mol
Exact Mass295.96
IUPAC Name3-[(5-bromo-2-chlorophenyl)methyl]phenol
SMILESOc1cccc(Cc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H10BrClO/c14-11-4-5-13(15)10(8-11)6-9-2-1-3-12(16)7-9/h1-5,7-8,16H,6H2
InChIKeyHMGSGVWEBVIVDF-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chlorophenyl)methyl]phenol?
The IUPAC name of 3-[(5-bromo-2-chlorophenyl)methyl]phenol (CID 67072862) is 3-[(5-bromo-2-chlorophenyl)methyl]phenol.
What is the SMILES notation for 3-[(5-bromo-2-chlorophenyl)methyl]phenol?
The canonical SMILES for 3-[(5-bromo-2-chlorophenyl)methyl]phenol is Oc1cccc(Cc2cc(Br)ccc2Cl)c1.
What is the InChIKey of 3-[(5-bromo-2-chlorophenyl)methyl]phenol?
The InChIKey is HMGSGVWEBVIVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO/c14-11-4-5-13(15)10(8-11)6-9-2-1-3-12(16)7-9/h1-5,7-8,16H,6H2.
What are the key properties of 3-[(5-bromo-2-chlorophenyl)methyl]phenol?
3-[(5-bromo-2-chlorophenyl)methyl]phenol has a molecular weight of 297.58 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-chlorophenyl)methyl]phenol is sourced from PubChem (CID 67072862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).