2-(4-chloro-3-iodophenyl)propan-2-ol

C9H10ClIO — CID 130785423

IUPAC2-(4-chloro-3-iodophenyl)propan-2-ol
SMILESCC(C)(O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C9H10ClIO/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3
InChIKeyRAJKDCMBZFWERF-UHFFFAOYSA-N
MW296.54 g/mol
LogP3.17
Rot. Bonds1

About 2-(4-chloro-3-iodophenyl)propan-2-ol

2-(4-chloro-3-iodophenyl)propan-2-ol (PubChem CID 130785423) has the molecular formula C9H10ClIO and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-(4-chloro-3-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-3-iodophenyl)propan-2-ol
PubChem CID130785423
Molecular FormulaC9H10ClIO
Molecular Weight296.54 g/mol
Exact Mass295.95
IUPAC Name2-(4-chloro-3-iodophenyl)propan-2-ol
SMILESCC(C)(O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C9H10ClIO/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3
InChIKeyRAJKDCMBZFWERF-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3-iodophenyl)propan-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

(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid
CID 130701560
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403
2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117306056
(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 131172460
2-chloro-4-[2-(4-hydroxyphenyl)propan-2-yl]-6-iodophenol
CID 162345095
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974
2-(2-chloroquinolin-6-yl)propan-2-ol
CID 164550082
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
1,1,4,4-tetrakis(3,4-dichlorophenyl)butane-1,4-diol
CID 154188534
4-chloro-3-iodobenzoyl chloride
CID 57349940

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-iodophenyl)propan-2-ol?
The IUPAC name of 2-(4-chloro-3-iodophenyl)propan-2-ol (CID 130785423) is 2-(4-chloro-3-iodophenyl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-3-iodophenyl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-3-iodophenyl)propan-2-ol is CC(C)(O)c1ccc(Cl)c(I)c1.
What is the InChIKey of 2-(4-chloro-3-iodophenyl)propan-2-ol?
The InChIKey is RAJKDCMBZFWERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIO/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3.
What are the key properties of 2-(4-chloro-3-iodophenyl)propan-2-ol?
2-(4-chloro-3-iodophenyl)propan-2-ol has a molecular weight of 296.54 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-iodophenyl)propan-2-ol is sourced from PubChem (CID 130785423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).