2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone

C16H15BrO2 — CID 86260257

IUPAC2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(CCBr)cc1
InChIInChI=1S/C16H15BrO2/c17-11-10-12-6-8-14(9-7-12)16(19)15(18)13-4-2-1-3-5-13/h1-9,16,19H,10-11H2
InChIKeyYHOYYYQBFVUQLV-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.54
Rot. Bonds5

About 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone

2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone (PubChem CID 86260257) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone
PubChem CID86260257
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(CCBr)cc1
InChIInChI=1S/C16H15BrO2/c17-11-10-12-6-8-14(9-7-12)16(19)15(18)13-4-2-1-3-5-13/h1-9,16,19H,10-11H2
InChIKeyYHOYYYQBFVUQLV-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1,2-diphenylethanone
CID 159399559
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
2-hydroxy-1,2-diphenylethanone;4-hydroxy-4-(2-phenylethyl)cyclohexa-2,5-dien-1-one
CID 175014716
2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone
CID 121433264
(Z)-1-[4-(2-bromoethyl)phenyl]-2-phenylethene-1,2-dithiol
CID 143639420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone (CID 86260257) is 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone is O=C(c1ccccc1)C(O)c1ccc(CCBr)cc1.
What is the InChIKey of 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone?
The InChIKey is YHOYYYQBFVUQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c17-11-10-12-6-8-14(9-7-12)16(19)15(18)13-4-2-1-3-5-13/h1-9,16,19H,10-11H2.
What are the key properties of 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone?
2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone has a molecular weight of 319.20 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 86260257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).