(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide

C10H10Br2O — CID 141122997

IUPAC(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide
SMILESC[C@@H](C(=O)Br)c1ccccc1CBr
InChIInChI=1S/C10H10Br2O/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyGXUWLOUNMSGHTB-SSDOTTSWSA-N
MW306.00 g/mol
LogP3.61
Rot. Bonds3

About (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide

(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide (PubChem CID 141122997) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide.

Molecular Properties

Compound Name(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide
PubChem CID141122997
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide
SMILESC[C@@H](C(=O)Br)c1ccccc1CBr
InChIInChI=1S/C10H10Br2O/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyGXUWLOUNMSGHTB-SSDOTTSWSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-[2-(bromomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171869229
1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane
CID 15140804
2-[2-(fluoromethyl)phenyl]propanoic acid
CID 18434881
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
2-[2-(2-carboxyethyl)phenyl]propanoic acid
CID 18790695
2-[2-(2-fluoroethyl)phenyl]propanoic acid
CID 84666825
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
3-(2-benzylphenyl)-2-oxobutanoic acid
CID 70588375
4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
CID 19938176
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid
CID 59987709
1-[3-(bromomethyl)-2-chlorophenyl]-1-chloropropan-2-one
CID 130837007

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide?
The IUPAC name of (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide (CID 141122997) is (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide.
What is the SMILES notation for (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide?
The canonical SMILES for (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide is C[C@@H](C(=O)Br)c1ccccc1CBr.
What is the InChIKey of (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide?
The InChIKey is GXUWLOUNMSGHTB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10Br2O/c1-7(10(12)13)9-5-3-2-4-8(9)6-11/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide?
(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide has a molecular weight of 306.00 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide is sourced from PubChem (CID 141122997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).