2-phenylethyl 2-(2-bromophenyl)acetate

C16H15BrO2 — CID 141456939

IUPAC2-phenylethyl 2-(2-bromophenyl)acetate
SMILESO=C(Cc1ccccc1Br)OCCc1ccccc1
InChIInChI=1S/C16H15BrO2/c17-15-9-5-4-8-14(15)12-16(18)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyBMDACOVIMDDBPX-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.78
Rot. Bonds5

About 2-phenylethyl 2-(2-bromophenyl)acetate

2-phenylethyl 2-(2-bromophenyl)acetate (PubChem CID 141456939) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-phenylethyl 2-(2-bromophenyl)acetate.

Molecular Properties

Compound Name2-phenylethyl 2-(2-bromophenyl)acetate
PubChem CID141456939
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-phenylethyl 2-(2-bromophenyl)acetate
SMILESO=C(Cc1ccccc1Br)OCCc1ccccc1
InChIInChI=1S/C16H15BrO2/c17-15-9-5-4-8-14(15)12-16(18)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyBMDACOVIMDDBPX-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenylethyl 2-(2-bromophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylethyl 2-(2-formylphenyl)acetate
CID 169081961
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
2-(2-bromophenyl)ethyl 3-fluoro-3-methylbutanoate
CID 135067678
2-phenylethyl 2-(3,4-dihydroxyphenyl)acetate
CID 138558195
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
4-O-(2-chloroethyl) 1-O-(2-phenylethyl) butanedioate
CID 91703286
2-phenylethyl 3-[3-[3-oxo-3-(2-phenylethoxy)propyl]phenyl]propanoate
CID 162059275
2-phenylethyl acetate
CID 7654
[2-(2-bromophenyl)acetyl] propanoate
CID 90987383
2-(2-bromophenyl)acetyl bromide
CID 87290551
acetic acid;2-phenylethyl acetate
CID 174791962
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(2-bromophenyl)acetate?
The IUPAC name of 2-phenylethyl 2-(2-bromophenyl)acetate (CID 141456939) is 2-phenylethyl 2-(2-bromophenyl)acetate.
What is the SMILES notation for 2-phenylethyl 2-(2-bromophenyl)acetate?
The canonical SMILES for 2-phenylethyl 2-(2-bromophenyl)acetate is O=C(Cc1ccccc1Br)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-(2-bromophenyl)acetate?
The InChIKey is BMDACOVIMDDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c17-15-9-5-4-8-14(15)12-16(18)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 2-phenylethyl 2-(2-bromophenyl)acetate?
2-phenylethyl 2-(2-bromophenyl)acetate has a molecular weight of 319.20 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(2-bromophenyl)acetate is sourced from PubChem (CID 141456939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).