2-[(1S)-2-iodo-1-phenylethoxy]ethanol

C10H13IO2 — CID 125483394

IUPAC2-[(1S)-2-iodo-1-phenylethoxy]ethanol
SMILESOCCO[C@H](CI)c1ccccc1
InChIInChI=1S/C10H13IO2/c11-8-10(13-7-6-12)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1
InChIKeyQPWVDYNDGVKXNX-SNVBAGLBSA-N
MW292.12 g/mol
LogP2.17
Rot. Bonds5

About 2-[(1S)-2-iodo-1-phenylethoxy]ethanol

2-[(1S)-2-iodo-1-phenylethoxy]ethanol (PubChem CID 125483394) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-[(1S)-2-iodo-1-phenylethoxy]ethanol.

Molecular Properties

Compound Name2-[(1S)-2-iodo-1-phenylethoxy]ethanol
PubChem CID125483394
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name2-[(1S)-2-iodo-1-phenylethoxy]ethanol
SMILESOCCO[C@H](CI)c1ccccc1
InChIInChI=1S/C10H13IO2/c11-8-10(13-7-6-12)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1
InChIKeyQPWVDYNDGVKXNX-SNVBAGLBSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S)-2-iodo-1-phenylethoxy]ethanol 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-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol
CID 59475402
(2-iodo-1-prop-2-ynoxyethyl)benzene
CID 25053624
(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol
CID 51051061
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-[2-(2-hydroxyethoxy)-2-phenylethoxy]propoxy]-1-phenylethoxy]-1-phenylethoxy]-1-phenylethoxy]-1-phenylethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 164935779
2-(3-ethyl-1-phenylnonoxy)ethanol
CID 12997328
N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87852483
[2-iodo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]benzene
CID 114774573
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
(2R)-2-ethoxy-2-phenylethanol
CID 10654619

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-iodo-1-phenylethoxy]ethanol?
The IUPAC name of 2-[(1S)-2-iodo-1-phenylethoxy]ethanol (CID 125483394) is 2-[(1S)-2-iodo-1-phenylethoxy]ethanol.
What is the SMILES notation for 2-[(1S)-2-iodo-1-phenylethoxy]ethanol?
The canonical SMILES for 2-[(1S)-2-iodo-1-phenylethoxy]ethanol is OCCO[C@H](CI)c1ccccc1.
What is the InChIKey of 2-[(1S)-2-iodo-1-phenylethoxy]ethanol?
The InChIKey is QPWVDYNDGVKXNX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13IO2/c11-8-10(13-7-6-12)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1.
What are the key properties of 2-[(1S)-2-iodo-1-phenylethoxy]ethanol?
2-[(1S)-2-iodo-1-phenylethoxy]ethanol has a molecular weight of 292.12 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-iodo-1-phenylethoxy]ethanol is sourced from PubChem (CID 125483394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).