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

C10H10BrClO2 — CID 43826387

IUPACmethyl 2-bromo-3-(3-chlorophenyl)propanoate
SMILESCOC(=O)C(Br)Cc1cccc(Cl)c1
InChIInChI=1S/C10H10BrClO2/c1-14-10(13)9(11)6-7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3
InChIKeyZIUWDYOQFDNHES-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.82
Rot. Bonds3

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

methyl 2-bromo-3-(3-chlorophenyl)propanoate (PubChem CID 43826387) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is methyl 2-bromo-3-(3-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-(3-chlorophenyl)propanoate
PubChem CID43826387
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Namemethyl 2-bromo-3-(3-chlorophenyl)propanoate
SMILESCOC(=O)C(Br)Cc1cccc(Cl)c1
InChIInChI=1S/C10H10BrClO2/c1-14-10(13)9(11)6-7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3
InChIKeyZIUWDYOQFDNHES-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-acetamido-3-(3-chlorophenyl)propanoate
CID 11219042
methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate
CID 174512826
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
methyl (2S)-3-(3-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 46900288
methyl 2-bromo-3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 103493751
methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
methyl 5-(3-chlorophenyl)-2-[(E)-hydroxyiminomethyl]pentanoate
CID 139477487
methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate
CID 125466806
methyl 6-(3-chlorophenyl)-5-methylhexanoate
CID 174399912
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-(3-chlorophenyl)propanoate?
The IUPAC name of methyl 2-bromo-3-(3-chlorophenyl)propanoate (CID 43826387) is methyl 2-bromo-3-(3-chlorophenyl)propanoate.
What is the SMILES notation for methyl 2-bromo-3-(3-chlorophenyl)propanoate?
The canonical SMILES for methyl 2-bromo-3-(3-chlorophenyl)propanoate is COC(=O)C(Br)Cc1cccc(Cl)c1.
What is the InChIKey of methyl 2-bromo-3-(3-chlorophenyl)propanoate?
The InChIKey is ZIUWDYOQFDNHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-14-10(13)9(11)6-7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3.
What are the key properties of methyl 2-bromo-3-(3-chlorophenyl)propanoate?
methyl 2-bromo-3-(3-chlorophenyl)propanoate has a molecular weight of 277.55 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-(3-chlorophenyl)propanoate is sourced from PubChem (CID 43826387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).