dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate

C19H23Br5K2O5 — CID 158707537

IUPACdipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate
SMILESCC(C)Br.CC(C)Oc1cc(Br)cc(Br)c1.O=CO[O-].Oc1cc(Br)cc(Br)c1.[H-].[K+].[K+]
InChIInChI=1S/C9H10Br2O.C6H4Br2O.C3H7Br.CH2O3.2K.H/c1-6(2)12-9-4-7(10)3-8(11)5-9;7-4-1-5(8)3-6(9)2-4;1-3(2)4;2-1-4-3;;;/h3-6H,1-2H3;1-3,9H;3H,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyVMPHEDJWFCDKJK-UHFFFAOYSA-M
MW809.10 g/mol
LogP1.26
Rot. Bonds3

About dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate

dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate (PubChem CID 158707537) has the molecular formula C19H23Br5K2O5 and a molecular weight of 809.10 g/mol. Its IUPAC name is dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate
PubChem CID158707537
Molecular FormulaC19H23Br5K2O5
Molecular Weight809.10 g/mol
Exact Mass803.67
IUPAC Namedipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate
SMILESCC(C)Br.CC(C)Oc1cc(Br)cc(Br)c1.O=CO[O-].Oc1cc(Br)cc(Br)c1.[H-].[K+].[K+]
InChIInChI=1S/C9H10Br2O.C6H4Br2O.C3H7Br.CH2O3.2K.H/c1-6(2)12-9-4-7(10)3-8(11)5-9;7-4-1-5(8)3-6(9)2-4;1-3(2)4;2-1-4-3;;;/h3-6H,1-2H3;1-3,9H;3H,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyVMPHEDJWFCDKJK-UHFFFAOYSA-M
XLogP1.26
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500809.10
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate 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

1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
3-bromo-5-hydroxybenzoic acid;methyl 3-bromo-5-propan-2-yloxybenzoate
CID 158388681
methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate
CID 154610153
1-bromo-3-ethenyl-5-propan-2-yloxybenzene
CID 156599987
1,3-dibromo-5-(1-bromohexoxy)benzene;3,5-dibromophenol
CID 141205438
3-iodo-5-propan-2-yloxyphenol
CID 67325346
3-bromo-5-propan-2-yloxypyridin-1-ium-1-carboxylate
CID 156693438
ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde
CID 176998359
N-(3-bromo-5-propan-2-yloxyphenyl)sulfanylmethanamine
CID 166983057
3-bromo-1-hydroxy-5-propan-2-yloxypyridin-1-ium
CID 165373918
N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide
CID 119819617
2-[(3-bromo-5-propan-2-yloxybenzoyl)-methylamino]propanoic acid
CID 119209283

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate?
The IUPAC name of dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate (CID 158707537) is dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate.
What is the SMILES notation for dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate?
The canonical SMILES for dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate is CC(C)Br.CC(C)Oc1cc(Br)cc(Br)c1.O=CO[O-].Oc1cc(Br)cc(Br)c1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate?
The InChIKey is VMPHEDJWFCDKJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10Br2O.C6H4Br2O.C3H7Br.CH2O3.2K.H/c1-6(2)12-9-4-7(10)3-8(11)5-9;7-4-1-5(8)3-6(9)2-4;1-3(2)4;2-1-4-3;;;/h3-6H,1-2H3;1-3,9H;3H,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate?
dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate has a molecular weight of 809.10 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-bromopropane;3,5-dibromophenol;1,3-dibromo-5-propan-2-yloxybenzene;hydride;oxido formate is sourced from PubChem (CID 158707537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).