(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone

C14H11BrO2 — CID 129405100

IUPAC(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone
SMILESO=C(c1ccc(O)cc1)[C@@H](Br)c1ccccc1
InChIInChI=1S/C14H11BrO2/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13,16H/t13-/m0/s1
InChIKeyYEIJOVUUFJDUTH-ZDUSSCGKSA-N
MW291.14 g/mol
LogP3.71
Rot. Bonds3

About (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone

(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone (PubChem CID 129405100) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone
PubChem CID129405100
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone
SMILESO=C(c1ccc(O)cc1)[C@@H](Br)c1ccccc1
InChIInChI=1S/C14H11BrO2/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13,16H/t13-/m0/s1
InChIKeyYEIJOVUUFJDUTH-ZDUSSCGKSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.71
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-bromo-1-(4-iodophenyl)-2-phenylethanone
CID 14067171
2-bromo-1-(4-methylsulfanylphenyl)-2-phenylethanone
CID 11336208
2-bromo-1-(4-hydroxyphenyl)-2-pyridin-3-ylethanone;hydrobromide
CID 22282382
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-2-bromo-2-phenylacetate
CID 7000043
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 54412235
4-chloro-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 123704596
2-bromo-2-(4-methylsulfonylphenyl)-1-phenylethanone
CID 15315212
[1-[4-(2-bromo-2-phenylacetyl)phenyl]cyclobutyl]carbamic acid
CID 87096157
2-bromo-2-phenylethaneperoxoic acid
CID 121326341
(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone
CID 914585
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone?
The IUPAC name of (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone (CID 129405100) is (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone?
The canonical SMILES for (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone is O=C(c1ccc(O)cc1)[C@@H](Br)c1ccccc1.
What is the InChIKey of (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone?
The InChIKey is YEIJOVUUFJDUTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13,16H/t13-/m0/s1.
What are the key properties of (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone?
(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone has a molecular weight of 291.14 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone is sourced from PubChem (CID 129405100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).