bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury

C13H17BrHgO — CID 134981077

IUPACbromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury
SMILESBr[Hg][C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H17O.BrH.Hg/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h1,3-4,7-9,13H,2,5-6,10-11H2;1H;/q;;+1/p-1/t13-;;/m1../s1
InChIKeyHYLVZCCWUBKPFW-FFXKMJQXSA-M
MW469.77 g/mol
LogP4.33
Rot. Bonds4

About bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury

bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury (PubChem CID 134981077) has the molecular formula C13H17BrHgO and a molecular weight of 469.77 g/mol. Its IUPAC name is bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury.

Molecular Properties

Compound Namebromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury
PubChem CID134981077
Molecular FormulaC13H17BrHgO
Molecular Weight469.77 g/mol
Exact Mass470.02
IUPAC Namebromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury
SMILESBr[Hg][C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H17O.BrH.Hg/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h1,3-4,7-9,13H,2,5-6,10-11H2;1H;/q;;+1/p-1/t13-;;/m1../s1
InChIKeyHYLVZCCWUBKPFW-FFXKMJQXSA-M
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.77
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury 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

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
CID 15200792
CID 15200792
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
azane;cyclopentyloxymethylbenzene
CID 69411306
[2-(isocyanatomethyl)cyclopentyl]oxymethylbenzene
CID 115038299
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
CID 142842449
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197

Frequently Asked Questions

What is the IUPAC name of bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury?
The IUPAC name of bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury (CID 134981077) is bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury.
What is the SMILES notation for bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury?
The canonical SMILES for bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury is Br[Hg][C@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury?
The InChIKey is HYLVZCCWUBKPFW-FFXKMJQXSA-M. The full InChI is InChI=1S/C13H17O.BrH.Hg/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h1,3-4,7-9,13H,2,5-6,10-11H2;1H;/q;;+1/p-1/t13-;;/m1../s1.
What are the key properties of bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury?
bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury has a molecular weight of 469.77 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury is sourced from PubChem (CID 134981077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).