1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol

C15H14BrIO — CID 114033074

IUPAC1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1cc(Br)ccc1I
InChIInChI=1S/C15H14BrIO/c1-10-4-2-3-5-11(10)8-15(18)13-9-12(16)6-7-14(13)17/h2-7,9,15,18H,8H2,1H3
InChIKeyNTOGSPZSYSOBLZ-UHFFFAOYSA-N
MW417.08 g/mol
LogP4.64
Rot. Bonds3

About 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol

1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol (PubChem CID 114033074) has the molecular formula C15H14BrIO and a molecular weight of 417.08 g/mol. Its IUPAC name is 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
PubChem CID114033074
Molecular FormulaC15H14BrIO
Molecular Weight417.08 g/mol
Exact Mass415.93
IUPAC Name1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1cc(Br)ccc1I
InChIInChI=1S/C15H14BrIO/c1-10-4-2-3-5-11(10)8-15(18)13-9-12(16)6-7-14(13)17/h2-7,9,15,18H,8H2,1H3
InChIKeyNTOGSPZSYSOBLZ-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.08
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-methylphenyl)ethanol
CID 60798292
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
CID 61081038
2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
CID 105377699
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
CID 55224259
1-(5-bromo-2-fluorophenyl)-3-(2-methylphenyl)propan-1-ol
CID 105113659
1-(5-bromo-2-iodophenyl)-3-chloropropan-1-ol
CID 155043896
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
CID 63016179
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol (CID 114033074) is 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1cc(Br)ccc1I.
What is the InChIKey of 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol?
The InChIKey is NTOGSPZSYSOBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrIO/c1-10-4-2-3-5-11(10)8-15(18)13-9-12(16)6-7-14(13)17/h2-7,9,15,18H,8H2,1H3.
What are the key properties of 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol?
1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol has a molecular weight of 417.08 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 114033074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).