1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol

C9H9BrCl2O2 — CID 164892127

IUPAC1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
SMILESCOc1ccc(Br)cc1C(O)C(Cl)Cl
InChIInChI=1S/C9H9BrCl2O2/c1-14-7-3-2-5(10)4-6(7)8(13)9(11)12/h2-4,8-9,13H,1H3
InChIKeyWRJOGOMMNMIPAK-UHFFFAOYSA-N
MW299.98 g/mol
LogP3.29
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol

1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol (PubChem CID 164892127) has the molecular formula C9H9BrCl2O2 and a molecular weight of 299.98 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
PubChem CID164892127
Molecular FormulaC9H9BrCl2O2
Molecular Weight299.98 g/mol
Exact Mass297.92
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
SMILESCOc1ccc(Br)cc1C(O)C(Cl)Cl
InChIInChI=1S/C9H9BrCl2O2/c1-14-7-3-2-5(10)4-6(7)8(13)9(11)12/h2-4,8-9,13H,1H3
InChIKeyWRJOGOMMNMIPAK-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.98
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
2,2-dichloro-1-(2,5-dibromophenyl)ethanol
CID 163445311
methyl (2S)-2-(5-bromo-2-methoxyphenyl)-2-chloroacetate
CID 94376628
2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
CID 83933754
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol (CID 164892127) is 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol is COc1ccc(Br)cc1C(O)C(Cl)Cl.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol?
The InChIKey is WRJOGOMMNMIPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2O2/c1-14-7-3-2-5(10)4-6(7)8(13)9(11)12/h2-4,8-9,13H,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol?
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol has a molecular weight of 299.98 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol is sourced from PubChem (CID 164892127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).