2-bromo-3-phenylmethoxypropanoyl chloride

C10H10BrClO2 — CID 154663472

IUPAC2-bromo-3-phenylmethoxypropanoyl chloride
SMILESO=C(Cl)C(Br)COCc1ccccc1
InChIInChI=1S/C10H10BrClO2/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyARVWUDRWSIJSSB-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.73
Rot. Bonds5

About 2-bromo-3-phenylmethoxypropanoyl chloride

2-bromo-3-phenylmethoxypropanoyl chloride (PubChem CID 154663472) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 2-bromo-3-phenylmethoxypropanoyl chloride.

Molecular Properties

Compound Name2-bromo-3-phenylmethoxypropanoyl chloride
PubChem CID154663472
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name2-bromo-3-phenylmethoxypropanoyl chloride
SMILESO=C(Cl)C(Br)COCc1ccccc1
InChIInChI=1S/C10H10BrClO2/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyARVWUDRWSIJSSB-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibromoethoxymethylbenzene
CID 14668834
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448
benzyl N-[(2S)-1-chloro-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 101344202
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
2-phenylmethoxyethane-1,1-diol
CID 59866645
(1-carboxy-2-phenylmethoxyethyl)azanide;platinum(2+)
CID 20617400
(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid
CID 10566133
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
2-bromo-1-phenyl-3,4-bis(phenylmethoxy)butan-1-one
CID 154115263
(2S,3R)-3-bromo-4-phenylmethoxybutane-1,2-diol
CID 101113557
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
3-amino-4-phenylmethoxybutan-2-one
CID 3355727

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-phenylmethoxypropanoyl chloride?
The IUPAC name of 2-bromo-3-phenylmethoxypropanoyl chloride (CID 154663472) is 2-bromo-3-phenylmethoxypropanoyl chloride.
What is the SMILES notation for 2-bromo-3-phenylmethoxypropanoyl chloride?
The canonical SMILES for 2-bromo-3-phenylmethoxypropanoyl chloride is O=C(Cl)C(Br)COCc1ccccc1.
What is the InChIKey of 2-bromo-3-phenylmethoxypropanoyl chloride?
The InChIKey is ARVWUDRWSIJSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-bromo-3-phenylmethoxypropanoyl chloride?
2-bromo-3-phenylmethoxypropanoyl chloride has a molecular weight of 277.55 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-phenylmethoxypropanoyl chloride is sourced from PubChem (CID 154663472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).