ethyl 6,8-dibromo-2H-chromene-3-carboxylate

C12H10Br2O3 — CID 53408342

IUPACethyl 6,8-dibromo-2H-chromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2cc(Br)cc(Br)c2OC1
InChIInChI=1S/C12H10Br2O3/c1-2-16-12(15)8-3-7-4-9(13)5-10(14)11(7)17-6-8/h3-5H,2,6H2,1H3
InChIKeyITVZZUIKVLWBMU-UHFFFAOYSA-N
MW362.02 g/mol
LogP3.55
Rot. Bonds2

About ethyl 6,8-dibromo-2H-chromene-3-carboxylate

ethyl 6,8-dibromo-2H-chromene-3-carboxylate (PubChem CID 53408342) has the molecular formula C12H10Br2O3 and a molecular weight of 362.02 g/mol. Its IUPAC name is ethyl 6,8-dibromo-2H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dibromo-2H-chromene-3-carboxylate
PubChem CID53408342
Molecular FormulaC12H10Br2O3
Molecular Weight362.02 g/mol
Exact Mass359.90
IUPAC Nameethyl 6,8-dibromo-2H-chromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2cc(Br)cc(Br)c2OC1
InChIInChI=1S/C12H10Br2O3/c1-2-16-12(15)8-3-7-4-9(13)5-10(14)11(7)17-6-8/h3-5H,2,6H2,1H3
InChIKeyITVZZUIKVLWBMU-UHFFFAOYSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.02
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-chloro-2H-chromene-3-carboxylate
CID 22934791
(6,8-dibromo-2H-chromen-3-yl)methanol
CID 103351442
7-O-benzyl 3-O-ethyl 8-methyl-2H-chromene-3,7-dicarboxylate
CID 67642398
ethyl 2,3,5-tribromobenzoate
CID 112694304
[(2R)-6,8-dibromo-2-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-3-ethoxycarbonylchromen-2-yl]azanium
CID 2332810
ethyl 7-amino-9-iodo-2,3-dihydro-1-benzoxepine-4-carboxylate
CID 54364917
diethyl 3,5-dibromobenzene-1,2-dicarboxylate
CID 139811983
ethyl 8-ethyl-1,3-dihydro-2-benzoxepine-4-carboxylate
CID 11572326
ethyl 3-[(6-bromo-2H-chromene-3-carbonyl)amino]benzoate
CID 22578505
ethyl 7-chloro-9-methoxy-2,3-dihydro-1-benzoxepine-4-carboxylate
CID 70073366
ethyl 9-amino-2,3-dihydro-1-benzoxepine-4-carboxylate
CID 18319514
ethyl 3-bromo-5-hydroxybenzoate
CID 11708561

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dibromo-2H-chromene-3-carboxylate?
The IUPAC name of ethyl 6,8-dibromo-2H-chromene-3-carboxylate (CID 53408342) is ethyl 6,8-dibromo-2H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dibromo-2H-chromene-3-carboxylate?
The canonical SMILES for ethyl 6,8-dibromo-2H-chromene-3-carboxylate is CCOC(=O)C1=Cc2cc(Br)cc(Br)c2OC1.
What is the InChIKey of ethyl 6,8-dibromo-2H-chromene-3-carboxylate?
The InChIKey is ITVZZUIKVLWBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O3/c1-2-16-12(15)8-3-7-4-9(13)5-10(14)11(7)17-6-8/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 6,8-dibromo-2H-chromene-3-carboxylate?
ethyl 6,8-dibromo-2H-chromene-3-carboxylate has a molecular weight of 362.02 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dibromo-2H-chromene-3-carboxylate is sourced from PubChem (CID 53408342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).