1-(4-iodophenyl)-3-phenylbutan-2-ol

C16H17IO — CID 65477457

IUPAC1-(4-iodophenyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1ccc(I)cc1
InChIInChI=1S/C16H17IO/c1-12(14-5-3-2-4-6-14)16(18)11-13-7-9-15(17)10-8-13/h2-10,12,16,18H,11H2,1H3
InChIKeyOCJSQICXBNWJIT-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-iodophenyl)-3-phenylbutan-2-ol

1-(4-iodophenyl)-3-phenylbutan-2-ol (PubChem CID 65477457) has the molecular formula C16H17IO and a molecular weight of 352.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-phenylbutan-2-ol
PubChem CID65477457
Molecular FormulaC16H17IO
Molecular Weight352.22 g/mol
Exact Mass352.03
IUPAC Name1-(4-iodophenyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1ccc(I)cc1
InChIInChI=1S/C16H17IO/c1-12(14-5-3-2-4-6-14)16(18)11-13-7-9-15(17)10-8-13/h2-10,12,16,18H,11H2,1H3
InChIKeyOCJSQICXBNWJIT-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-iodophenyl)-3-phenylbutan-2-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

1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol
CID 65149130
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
1-[3-(difluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
CID 115527785
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
1-(4-iodophenyl)-3-methoxypentan-2-ol
CID 116710944
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
CID 163739706
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
1-(4-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017730
2-benzyl-3-[(4-iodophenyl)methyl]butanedioic acid
CID 21364662
(2R)-2-phenylheptan-3-ol
CID 91322845
3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol
CID 103459420

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-phenylbutan-2-ol?
The IUPAC name of 1-(4-iodophenyl)-3-phenylbutan-2-ol (CID 65477457) is 1-(4-iodophenyl)-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(4-iodophenyl)-3-phenylbutan-2-ol?
The canonical SMILES for 1-(4-iodophenyl)-3-phenylbutan-2-ol is CC(c1ccccc1)C(O)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3-phenylbutan-2-ol?
The InChIKey is OCJSQICXBNWJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO/c1-12(14-5-3-2-4-6-14)16(18)11-13-7-9-15(17)10-8-13/h2-10,12,16,18H,11H2,1H3.
What are the key properties of 1-(4-iodophenyl)-3-phenylbutan-2-ol?
1-(4-iodophenyl)-3-phenylbutan-2-ol has a molecular weight of 352.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-phenylbutan-2-ol is sourced from PubChem (CID 65477457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).