(2R)-1-iodo-4-phenylbutan-2-ol

C10H13IO — CID 142003029

IUPAC(2R)-1-iodo-4-phenylbutan-2-ol
SMILESO[C@@H](CI)CCc1ccccc1
InChIInChI=1S/C10H13IO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1
InChIKeyLZDCPKJHJWTCSI-SNVBAGLBSA-N
MW276.12 g/mol
LogP2.42
Rot. Bonds4

About (2R)-1-iodo-4-phenylbutan-2-ol

(2R)-1-iodo-4-phenylbutan-2-ol (PubChem CID 142003029) has the molecular formula C10H13IO and a molecular weight of 276.12 g/mol. Its IUPAC name is (2R)-1-iodo-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-iodo-4-phenylbutan-2-ol
PubChem CID142003029
Molecular FormulaC10H13IO
Molecular Weight276.12 g/mol
Exact Mass276.00
IUPAC Name(2R)-1-iodo-4-phenylbutan-2-ol
SMILESO[C@@H](CI)CCc1ccccc1
InChIInChI=1S/C10H13IO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1
InChIKeyLZDCPKJHJWTCSI-SNVBAGLBSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1-iodo-4-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

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
1-phenylhept-6-yn-3-ol
CID 63657298
1-phenylheptan-3-ol
CID 10420110
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
(4R)-4-hydroxy-6-phenylhexanenitrile
CID 15648925
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
5-(chloromethyl)-1-phenylhex-5-en-3-ol
CID 15313184
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427

Frequently Asked Questions

What is the IUPAC name of (2R)-1-iodo-4-phenylbutan-2-ol?
The IUPAC name of (2R)-1-iodo-4-phenylbutan-2-ol (CID 142003029) is (2R)-1-iodo-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-1-iodo-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-1-iodo-4-phenylbutan-2-ol is O[C@@H](CI)CCc1ccccc1.
What is the InChIKey of (2R)-1-iodo-4-phenylbutan-2-ol?
The InChIKey is LZDCPKJHJWTCSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13IO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1.
What are the key properties of (2R)-1-iodo-4-phenylbutan-2-ol?
(2R)-1-iodo-4-phenylbutan-2-ol has a molecular weight of 276.12 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-iodo-4-phenylbutan-2-ol is sourced from PubChem (CID 142003029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).