1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol

C15H14BrIOS — CID 66143470

IUPAC1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
SMILESOC(CSc1ccccc1Br)Cc1ccc(I)cc1
InChIInChI=1S/C15H14BrIOS/c16-14-3-1-2-4-15(14)19-10-13(18)9-11-5-7-12(17)8-6-11/h1-8,13,18H,9-10H2
InChIKeyIPSGTLKMBRLTGT-UHFFFAOYSA-N
MW449.15 g/mol
LogP4.75
Rot. Bonds5

About 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol

1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol (PubChem CID 66143470) has the molecular formula C15H14BrIOS and a molecular weight of 449.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
PubChem CID66143470
Molecular FormulaC15H14BrIOS
Molecular Weight449.15 g/mol
Exact Mass447.90
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
SMILESOC(CSc1ccccc1Br)Cc1ccc(I)cc1
InChIInChI=1S/C15H14BrIOS/c16-14-3-1-2-4-15(14)19-10-13(18)9-11-5-7-12(17)8-6-11/h1-8,13,18H,9-10H2
InChIKeyIPSGTLKMBRLTGT-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.15
LogP ≤ 54.75
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

1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
CID 65476845
1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642586
1-(2-bromophenyl)sulfanylpentan-2-ol
CID 66144436
1-(2-bromophenyl)sulfanylpent-4-en-2-ol
CID 66145032
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
3-(2-bromophenyl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 45158759
1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 66145226
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688
1-(2-bromophenyl)sulfanylheptan-2-ol
CID 66144629
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol (CID 66143470) is 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol is OC(CSc1ccccc1Br)Cc1ccc(I)cc1.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol?
The InChIKey is IPSGTLKMBRLTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrIOS/c16-14-3-1-2-4-15(14)19-10-13(18)9-11-5-7-12(17)8-6-11/h1-8,13,18H,9-10H2.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol?
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol has a molecular weight of 449.15 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol is sourced from PubChem (CID 66143470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).