2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol

C15H13BrClIO2 — CID 103216677

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(I)c(Cl)c2)cc1Br
InChIInChI=1S/C15H13BrClIO2/c1-20-15-5-2-9(6-11(15)16)7-14(19)10-3-4-13(18)12(17)8-10/h2-6,8,14,19H,7H2,1H3
InChIKeyZLPUCWHWHZKRTD-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.99
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol (PubChem CID 103216677) has the molecular formula C15H13BrClIO2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
PubChem CID103216677
Molecular FormulaC15H13BrClIO2
Molecular Weight467.53 g/mol
Exact Mass465.88
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(I)c(Cl)c2)cc1Br
InChIInChI=1S/C15H13BrClIO2/c1-20-15-5-2-9(6-11(15)16)7-14(19)10-3-4-13(18)12(17)8-10/h2-6,8,14,19H,7H2,1H3
InChIKeyZLPUCWHWHZKRTD-UHFFFAOYSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214776
1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 65476638
2-(3-bromo-4-methoxyphenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 63895968
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
CID 103210037
2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
CID 65026534
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol (CID 103216677) is 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol is COc1ccc(CC(O)c2ccc(I)c(Cl)c2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol?
The InChIKey is ZLPUCWHWHZKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClIO2/c1-20-15-5-2-9(6-11(15)16)7-14(19)10-3-4-13(18)12(17)8-10/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol has a molecular weight of 467.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol is sourced from PubChem (CID 103216677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).