2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride

C18H12BrClO2 — CID 154151548

IUPAC2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride
SMILESO=C(Cl)C(Oc1ccc2ccccc2c1Br)c1ccccc1
InChIInChI=1S/C18H12BrClO2/c19-16-14-9-5-4-6-12(14)10-11-15(16)22-17(18(20)21)13-7-2-1-3-8-13/h1-11,17H
InChIKeyOBZGYWPRFQATID-UHFFFAOYSA-N
MW375.65 g/mol
LogP5.49
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride

2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride (PubChem CID 154151548) has the molecular formula C18H12BrClO2 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride
PubChem CID154151548
Molecular FormulaC18H12BrClO2
Molecular Weight375.65 g/mol
Exact Mass373.97
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride
SMILESO=C(Cl)C(Oc1ccc2ccccc2c1Br)c1ccccc1
InChIInChI=1S/C18H12BrClO2/c19-16-14-9-5-4-6-12(14)10-11-15(16)22-17(18(20)21)13-7-2-1-3-8-13/h1-11,17H
InChIKeyOBZGYWPRFQATID-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.65
LogP ≤ 55.49
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

2-(1-bromonaphthalen-2-yl)oxy-3,3-dimethylbutanoic acid
CID 67007983
[(1S,2S)-2-(1-bromonaphthalene-2-carbonyl)oxy-1,2-diphenylethyl] 1-bromonaphthalene-2-carboxylate
CID 13312305
(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7640054
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 9415213
(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 70693146
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785322
(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate
CID 7918557
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
3-(1-bromonaphthalen-2-yl)oxybenzoic acid
CID 63944048
2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
CID 103272594
2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
CID 22683110

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride (CID 154151548) is 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride is O=C(Cl)C(Oc1ccc2ccccc2c1Br)c1ccccc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride?
The InChIKey is OBZGYWPRFQATID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClO2/c19-16-14-9-5-4-6-12(14)10-11-15(16)22-17(18(20)21)13-7-2-1-3-8-13/h1-11,17H.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride?
2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride has a molecular weight of 375.65 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride is sourced from PubChem (CID 154151548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).