2-bromoethyl 2-naphthalen-2-yloxyacetate

C14H13BrO3 — CID 22163309

IUPAC2-bromoethyl 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)OCCBr
InChIInChI=1S/C14H13BrO3/c15-7-8-17-14(16)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKeyCMVXSMNZSBGISY-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.16
Rot. Bonds5

About 2-bromoethyl 2-naphthalen-2-yloxyacetate

2-bromoethyl 2-naphthalen-2-yloxyacetate (PubChem CID 22163309) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-bromoethyl 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name2-bromoethyl 2-naphthalen-2-yloxyacetate
PubChem CID22163309
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name2-bromoethyl 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)OCCBr
InChIInChI=1S/C14H13BrO3/c15-7-8-17-14(16)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKeyCMVXSMNZSBGISY-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821296
2-(9-bromononoxy)naphthalene
CID 105343234
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583275
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843327
2-naphthalen-2-yloxyethanethioamide
CID 7454258
naphthalen-2-yl 4-bromobutanoate
CID 532375
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl 2-naphthalen-2-yloxyacetate?
The IUPAC name of 2-bromoethyl 2-naphthalen-2-yloxyacetate (CID 22163309) is 2-bromoethyl 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for 2-bromoethyl 2-naphthalen-2-yloxyacetate?
The canonical SMILES for 2-bromoethyl 2-naphthalen-2-yloxyacetate is O=C(COc1ccc2ccccc2c1)OCCBr.
What is the InChIKey of 2-bromoethyl 2-naphthalen-2-yloxyacetate?
The InChIKey is CMVXSMNZSBGISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c15-7-8-17-14(16)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2.
What are the key properties of 2-bromoethyl 2-naphthalen-2-yloxyacetate?
2-bromoethyl 2-naphthalen-2-yloxyacetate has a molecular weight of 309.16 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 22163309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).