dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate

C35H29Br3K2O5 — CID 161317668

IUPACdipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate
SMILESBrCc1ccccc1.Brc1cccc2ccc(OCc3ccccc3)cc12.O=CO[O-].Oc1ccc2cccc(Br)c2c1.[H-].[K+].[K+]
InChIInChI=1S/C17H13BrO.C10H7BrO.C7H7Br.CH2O3.2K.H/c18-17-8-4-7-14-9-10-15(11-16(14)17)19-12-13-5-2-1-3-6-13;11-10-3-1-2-7-4-5-8(12)6-9(7)10;8-6-7-4-2-1-3-5-7;2-1-4-3;;;/h1-11H,12H2;1-6,12H;1-5H,6H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyVKQXPSFAWISJNS-UHFFFAOYSA-M
MW847.52 g/mol
LogP3.63
Rot. Bonds5

About dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate

dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate (PubChem CID 161317668) has the molecular formula C35H29Br3K2O5 and a molecular weight of 847.52 g/mol. Its IUPAC name is dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate
PubChem CID161317668
Molecular FormulaC35H29Br3K2O5
Molecular Weight847.52 g/mol
Exact Mass843.88
IUPAC Namedipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate
SMILESBrCc1ccccc1.Brc1cccc2ccc(OCc3ccccc3)cc12.O=CO[O-].Oc1ccc2cccc(Br)c2c1.[H-].[K+].[K+]
InChIInChI=1S/C17H13BrO.C10H7BrO.C7H7Br.CH2O3.2K.H/c18-17-8-4-7-14-9-10-15(11-16(14)17)19-12-13-5-2-1-3-6-13;11-10-3-1-2-7-4-5-8(12)6-9(7)10;8-6-7-4-2-1-3-5-7;2-1-4-3;;;/h1-11H,12H2;1-6,12H;1-5H,6H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyVKQXPSFAWISJNS-UHFFFAOYSA-M
XLogP3.63
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500847.52
LogP ≤ 53.63
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;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;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

7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
dicesium;bromomethylbenzene;hydride;oxido formate;2,3,5-trimethylbenzene-1,4-diol;1,3,4-trimethyl-2,5-bis(phenylmethoxy)benzene
CID 159253120
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 177328592
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
2-bromo-6-phenylmethoxynaphthalene
CID 640595
7-phenylmethoxyquinoline;quinolin-7-ol
CID 160975104
methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate
CID 67636313
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
dicesium;acetonitrile;bromomethylbenzene;hydride;2-methylsulfanyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine;3-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol;2-methylsulfonyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine;oxido formate
CID 161419586
ethane;4-phenylmethoxyphthalic acid
CID 90802135

Frequently Asked Questions

What is the IUPAC name of dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate?
The IUPAC name of dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate (CID 161317668) is dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate.
What is the SMILES notation for dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate?
The canonical SMILES for dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate is BrCc1ccccc1.Brc1cccc2ccc(OCc3ccccc3)cc12.O=CO[O-].Oc1ccc2cccc(Br)c2c1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate?
The InChIKey is VKQXPSFAWISJNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13BrO.C10H7BrO.C7H7Br.CH2O3.2K.H/c18-17-8-4-7-14-9-10-15(11-16(14)17)19-12-13-5-2-1-3-6-13;11-10-3-1-2-7-4-5-8(12)6-9(7)10;8-6-7-4-2-1-3-5-7;2-1-4-3;;;/h1-11H,12H2;1-6,12H;1-5H,6H2;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate?
dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate has a molecular weight of 847.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bromomethylbenzene;8-bromonaphthalen-2-ol;1-bromo-7-phenylmethoxynaphthalene;hydride;oxido formate is sourced from PubChem (CID 161317668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).