(2R)-2-(3-bromophenoxy)-2-phenylacetic acid

C14H11BrO3 — CID 42181032

IUPAC(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
SMILESO=C(O)[C@H](Oc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H11BrO3/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H,16,17)/t13-/m1/s1
InChIKeyJOQPWSHPJXCJDX-CYBMUJFWSA-N
MW307.14 g/mol
LogP3.65
Rot. Bonds4

About (2R)-2-(3-bromophenoxy)-2-phenylacetic acid

(2R)-2-(3-bromophenoxy)-2-phenylacetic acid (PubChem CID 42181032) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
PubChem CID42181032
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
SMILESO=C(O)[C@H](Oc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H11BrO3/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H,16,17)/t13-/m1/s1
InChIKeyJOQPWSHPJXCJDX-CYBMUJFWSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
(2R)-2-(3-bromophenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7818419
2-(3-bromophenoxy)-2-fluoroacetic acid
CID 79357675
(3-bromophenyl) 2,2-diphenylacetate
CID 19114604
2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
CID 119432773
2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
CID 82827786
1,3-bis(3-bromophenoxy)-1,3-bis(4-bromophenyl)propan-2-one;3-bromophenol
CID 159305203
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 51958231
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3-bromophenoxy)-2-phenylethanone;hydrochloride
CID 119412168
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(3-bromophenoxy)-2-phenylacetic acid (CID 42181032) is (2R)-2-(3-bromophenoxy)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-2-phenylacetic acid is O=C(O)[C@H](Oc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-2-phenylacetic acid?
The InChIKey is JOQPWSHPJXCJDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-2-phenylacetic acid?
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid has a molecular weight of 307.14 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-2-phenylacetic acid is sourced from PubChem (CID 42181032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).