methyl 2-(3-bromo-4-chlorophenyl)propanoate

C10H10BrClO2 — CID 105426693

IUPACmethyl 2-(3-bromo-4-chlorophenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrClO2/c1-6(10(13)14-2)7-3-4-9(12)8(11)5-7/h3-6H,1-2H3
InChIKeyHVVCPNPIQSXHSE-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.38
Rot. Bonds2

About methyl 2-(3-bromo-4-chlorophenyl)propanoate

methyl 2-(3-bromo-4-chlorophenyl)propanoate (PubChem CID 105426693) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is methyl 2-(3-bromo-4-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-4-chlorophenyl)propanoate
PubChem CID105426693
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Namemethyl 2-(3-bromo-4-chlorophenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrClO2/c1-6(10(13)14-2)7-3-4-9(12)8(11)5-7/h3-6H,1-2H3
InChIKeyHVVCPNPIQSXHSE-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-(3-bromo-4-chlorophenyl)-2-(butan-2-ylamino)acetate
CID 83230709
methyl 2-(3-bromo-4-propan-2-yloxyphenyl)propanoate
CID 105426774
methyl 2-(3-chloro-4-methylsulfanylphenyl)propanoate
CID 70816255
methyl 3-amino-3-(3-bromo-4-chlorophenyl)propanoate
CID 115563535
methyl 4-(3-bromo-4-chlorophenyl)-4-hydroxy-3-methylbutanoate
CID 83230986
methyl 2-(6-bromonaphthalen-2-yl)propanoate
CID 154165948
methyl 2-(3-bromo-4-chlorophenyl)-2-(4-fluoroanilino)acetate
CID 83233258
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
methyl 2-(3,4-dichlorophenyl)acetate;methyl 2-(3,4-dichlorophenyl)propanoate
CID 160802839
ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
CID 83229955
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-4-chlorophenyl)propanoate?
The IUPAC name of methyl 2-(3-bromo-4-chlorophenyl)propanoate (CID 105426693) is methyl 2-(3-bromo-4-chlorophenyl)propanoate.
What is the SMILES notation for methyl 2-(3-bromo-4-chlorophenyl)propanoate?
The canonical SMILES for methyl 2-(3-bromo-4-chlorophenyl)propanoate is COC(=O)C(C)c1ccc(Cl)c(Br)c1.
What is the InChIKey of methyl 2-(3-bromo-4-chlorophenyl)propanoate?
The InChIKey is HVVCPNPIQSXHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-6(10(13)14-2)7-3-4-9(12)8(11)5-7/h3-6H,1-2H3.
What are the key properties of methyl 2-(3-bromo-4-chlorophenyl)propanoate?
methyl 2-(3-bromo-4-chlorophenyl)propanoate has a molecular weight of 277.55 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-4-chlorophenyl)propanoate is sourced from PubChem (CID 105426693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).