2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride

C13H10BrClO2 — CID 10380881

IUPAC2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
SMILESCC(Oc1ccc2cc(Br)ccc2c1)C(=O)Cl
InChIInChI=1S/C13H10BrClO2/c1-8(13(15)16)17-12-5-3-9-6-11(14)4-2-10(9)7-12/h2-8H,1H3
InChIKeyFLSLINFWCLUIBQ-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.14
Rot. Bonds3

About 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride

2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride (PubChem CID 10380881) has the molecular formula C13H10BrClO2 and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
PubChem CID10380881
Molecular FormulaC13H10BrClO2
Molecular Weight313.58 g/mol
Exact Mass311.96
IUPAC Name2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
SMILESCC(Oc1ccc2cc(Br)ccc2c1)C(=O)Cl
InChIInChI=1S/C13H10BrClO2/c1-8(13(15)16)17-12-5-3-9-6-11(14)4-2-10(9)7-12/h2-8H,1H3
InChIKeyFLSLINFWCLUIBQ-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one
CID 2099999
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7786780
(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
CID 7786732
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride (CID 10380881) is 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride is CC(Oc1ccc2cc(Br)ccc2c1)C(=O)Cl.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride?
The InChIKey is FLSLINFWCLUIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2/c1-8(13(15)16)17-12-5-3-9-6-11(14)4-2-10(9)7-12/h2-8H,1H3.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride?
2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride has a molecular weight of 313.58 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride is sourced from PubChem (CID 10380881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).