ethyl 2-(4-bromophenyl)acetate

C10H11BrO2 — CID 7020609

IUPACethyl 2-(4-bromophenyl)acetate
SMILESCCOC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKeyZFDCWHPNBWPPHG-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.55
Rot. Bonds3

About ethyl 2-(4-bromophenyl)acetate

ethyl 2-(4-bromophenyl)acetate (PubChem CID 7020609) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)acetate
PubChem CID7020609
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Nameethyl 2-(4-bromophenyl)acetate
SMILESCCOC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKeyZFDCWHPNBWPPHG-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)acetate?
The IUPAC name of ethyl 2-(4-bromophenyl)acetate (CID 7020609) is ethyl 2-(4-bromophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)acetate?
The canonical SMILES for ethyl 2-(4-bromophenyl)acetate is CCOC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of ethyl 2-(4-bromophenyl)acetate?
The InChIKey is ZFDCWHPNBWPPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-bromophenyl)acetate?
ethyl 2-(4-bromophenyl)acetate has a molecular weight of 243.10 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)acetate is sourced from PubChem (CID 7020609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).