potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate

C15H10BrKO4 — CID 157101066

IUPACpotassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate
SMILESCC(Oc1ccc2c(c1)oc1cc(Br)ccc12)C(=O)[O-].[K+]
InChIInChI=1S/C15H11BrO4.K/c1-8(15(17)18)19-10-3-5-12-11-4-2-9(16)6-13(11)20-14(12)7-10;/h2-8H,1H3,(H,17,18);/q;+1/p-1
InChIKeyAFTOWKABRUHIDQ-UHFFFAOYSA-M
MW373.24 g/mol
LogP-0.13
Rot. Bonds3

About potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate

potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate (PubChem CID 157101066) has the molecular formula C15H10BrKO4 and a molecular weight of 373.24 g/mol. Its IUPAC name is potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate.

Molecular Properties

Compound Namepotassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate
PubChem CID157101066
Molecular FormulaC15H10BrKO4
Molecular Weight373.24 g/mol
Exact Mass371.94
IUPAC Namepotassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate
SMILESCC(Oc1ccc2c(c1)oc1cc(Br)ccc12)C(=O)[O-].[K+]
InChIInChI=1S/C15H11BrO4.K/c1-8(15(17)18)19-10-3-5-12-11-4-2-9(16)6-13(11)20-14(12)7-10;/h2-8H,1H3,(H,17,18);/q;+1/p-1
InChIKeyAFTOWKABRUHIDQ-UHFFFAOYSA-M
XLogP-0.13
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-methyl-3-(2-methylpropyl)-2-oxochromen-7-yl]oxypropanoate
CID 6922533
2-[4-methyl-3-(2-methylpropyl)-2-oxochromen-7-yl]oxypropanoate
CID 3706072
ethyl 3-(4-bromophenyl)-7-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-4-oxochromene-2-carboxylate
CID 1305750
ethyl 3-(4-bromophenyl)-7-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-4-oxochromene-2-carboxylate
CID 1305749
(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate
CID 6972935
2-(3,4-dimethylphenoxy)propanoate
CID 4744716
(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate
CID 7575311
(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
(2R)-2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 6973392
(2S)-2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 6973391
3-[(2S)-3-oxobutan-2-yl]oxybenzo[c]chromen-6-one
CID 914972

Frequently Asked Questions

What is the IUPAC name of potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate?
The IUPAC name of potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate (CID 157101066) is potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate.
What is the SMILES notation for potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate?
The canonical SMILES for potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate is CC(Oc1ccc2c(c1)oc1cc(Br)ccc12)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate?
The InChIKey is AFTOWKABRUHIDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11BrO4.K/c1-8(15(17)18)19-10-3-5-12-11-4-2-9(16)6-13(11)20-14(12)7-10;/h2-8H,1H3,(H,17,18);/q;+1/p-1.
What are the key properties of potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate?
potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate has a molecular weight of 373.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate is sourced from PubChem (CID 157101066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).