ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate

C20H16Br2O3 — CID 13373699

IUPACethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate
SMILESCCOC(=O)COc1c(Br)c(Br)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H16Br2O3/c1-2-24-16(23)12-25-20-15-11-7-6-10-14(15)17(18(21)19(20)22)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyHXLNUXGHMACUOO-UHFFFAOYSA-N
MW464.15 g/mol
LogP5.97
Rot. Bonds5

About ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate

ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate (PubChem CID 13373699) has the molecular formula C20H16Br2O3 and a molecular weight of 464.15 g/mol. Its IUPAC name is ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate
PubChem CID13373699
Molecular FormulaC20H16Br2O3
Molecular Weight464.15 g/mol
Exact Mass461.95
IUPAC Nameethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate
SMILESCCOC(=O)COc1c(Br)c(Br)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H16Br2O3/c1-2-24-16(23)12-25-20-15-11-7-6-10-14(15)17(18(21)19(20)22)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyHXLNUXGHMACUOO-UHFFFAOYSA-N
XLogP5.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.15
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-bromo-10-[6-bromo-10-(2-ethoxy-2-oxoethoxy)phenanthren-9-yl]phenanthren-9-yl]oxyacetate
CID 176819787
ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate
CID 123747455
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-5,11,17,23-tetraphenyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate
CID 101405265
ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
CID 170790136
diethyl 1-(4-bromophenyl)-4-phenylnaphthalene-2,3-dicarboxylate
CID 135018432
1-chloro-3-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxypropan-2-ol
CID 13158229
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate
CID 146289919
ethyl 2-(4-bromo-2,3,5-trimethylphenoxy)acetate
CID 86047360

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate?
The IUPAC name of ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate (CID 13373699) is ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate?
The canonical SMILES for ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate is CCOC(=O)COc1c(Br)c(Br)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate?
The InChIKey is HXLNUXGHMACUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2O3/c1-2-24-16(23)12-25-20-15-11-7-6-10-14(15)17(18(21)19(20)22)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate?
ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate has a molecular weight of 464.15 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 13373699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).