(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one

C10H11BrO2 — CID 94723758

IUPAC(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1C(=O)[C@@H](C)Br
InChIInChI=1S/C10H11BrO2/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7H,1-2H3/t7-/m1/s1
InChIKeyFPLIHNQJYDCWBM-SSDOTTSWSA-N
MW243.10 g/mol
LogP2.66
Rot. Bonds3

About (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one

(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one (PubChem CID 94723758) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
PubChem CID94723758
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1C(=O)[C@@H](C)Br
InChIInChI=1S/C10H11BrO2/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7H,1-2H3/t7-/m1/s1
InChIKeyFPLIHNQJYDCWBM-SSDOTTSWSA-N
XLogP2.66
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 ≤ 52.66
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

(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
2-bromo-1-[2-(bromomethyl)-3-methoxyphenyl]propan-1-one
CID 131405805
2-bromo-1-(2-ethoxy-3-methoxyphenyl)propan-1-one
CID 134618688
2-bromo-1-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-one
CID 134619123
2-bromo-1-(2,4-dimethoxy-3-methylphenyl)propan-1-one
CID 14199715
2-[2-(2-bromopropanoyl)-6-methoxyphenyl]acetic acid
CID 170838227
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-bromo-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 12937025
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone
CID 87278557
2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
CID 54172457

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one?
The IUPAC name of (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one (CID 94723758) is (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one is COc1ccccc1C(=O)[C@@H](C)Br.
What is the InChIKey of (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one?
The InChIKey is FPLIHNQJYDCWBM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7H,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one?
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one has a molecular weight of 243.10 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 94723758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).