2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol

C16H16BrIO — CID 66040471

IUPAC2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
SMILESOCC(Cc1ccc(I)cc1)Cc1ccccc1Br
InChIInChI=1S/C16H16BrIO/c17-16-4-2-1-3-14(16)10-13(11-19)9-12-5-7-15(18)8-6-12/h1-8,13,19H,9-11H2
InChIKeyGXYSKXXOBPFPSF-UHFFFAOYSA-N
MW431.11 g/mol
LogP4.45
Rot. Bonds5

About 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol

2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol (PubChem CID 66040471) has the molecular formula C16H16BrIO and a molecular weight of 431.11 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
PubChem CID66040471
Molecular FormulaC16H16BrIO
Molecular Weight431.11 g/mol
Exact Mass429.94
IUPAC Name2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
SMILESOCC(Cc1ccc(I)cc1)Cc1ccccc1Br
InChIInChI=1S/C16H16BrIO/c17-16-4-2-1-3-14(16)10-13(11-19)9-12-5-7-15(18)8-6-12/h1-8,13,19H,9-11H2
InChIKeyGXYSKXXOBPFPSF-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.11
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol 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-[(2-bromophenyl)methyl]-3-(4-iodophenyl)-N-methylpropan-1-amine
CID 65490315
1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
CID 65476845
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66037859
2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037391
2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66058853
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methylbenzene
CID 66041139
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82871625
N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
CID 65476357
2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol
CID 79223637
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methoxybenzene
CID 66041158
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol
CID 102863663
2-[(2-bromophenyl)methyl]-5-ethylsulfonylpentan-1-ol
CID 66039051

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol (CID 66040471) is 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol is OCC(Cc1ccc(I)cc1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol?
The InChIKey is GXYSKXXOBPFPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrIO/c17-16-4-2-1-3-14(16)10-13(11-19)9-12-5-7-15(18)8-6-12/h1-8,13,19H,9-11H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol?
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol has a molecular weight of 431.11 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol is sourced from PubChem (CID 66040471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).