methyl 3-(4-bromophenyl)propanoate

C10H11BrO2 — CID 11447883

IUPACmethyl 3-(4-bromophenyl)propanoate
SMILESCOC(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKeyFKPYNBFWCSTPOT-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.55
Rot. Bonds3

About methyl 3-(4-bromophenyl)propanoate

methyl 3-(4-bromophenyl)propanoate (PubChem CID 11447883) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is methyl 3-(4-bromophenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-bromophenyl)propanoate
PubChem CID11447883
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Namemethyl 3-(4-bromophenyl)propanoate
SMILESCOC(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKeyFKPYNBFWCSTPOT-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 methyl 3-(4-bromophenyl)propanoate?
The IUPAC name of methyl 3-(4-bromophenyl)propanoate (CID 11447883) is methyl 3-(4-bromophenyl)propanoate.
What is the SMILES notation for methyl 3-(4-bromophenyl)propanoate?
The canonical SMILES for methyl 3-(4-bromophenyl)propanoate is COC(=O)CCc1ccc(Br)cc1.
What is the InChIKey of methyl 3-(4-bromophenyl)propanoate?
The InChIKey is FKPYNBFWCSTPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3.
What are the key properties of methyl 3-(4-bromophenyl)propanoate?
methyl 3-(4-bromophenyl)propanoate 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 methyl 3-(4-bromophenyl)propanoate is sourced from PubChem (CID 11447883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).