(2R)-2-iodo-3-phenylpropanal

C9H9IO — CID 53487128

IUPAC(2R)-2-iodo-3-phenylpropanal
SMILESO=C[C@H](I)Cc1ccccc1
InChIInChI=1S/C9H9IO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2/t9-/m1/s1
InChIKeyFGXOGVFQSMIASH-SECBINFHSA-N
MW260.07 g/mol
LogP2.23
Rot. Bonds3

About (2R)-2-iodo-3-phenylpropanal

(2R)-2-iodo-3-phenylpropanal (PubChem CID 53487128) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is (2R)-2-iodo-3-phenylpropanal.

Molecular Properties

Compound Name(2R)-2-iodo-3-phenylpropanal
PubChem CID53487128
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name(2R)-2-iodo-3-phenylpropanal
SMILESO=C[C@H](I)Cc1ccccc1
InChIInChI=1S/C9H9IO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2/t9-/m1/s1
InChIKeyFGXOGVFQSMIASH-SECBINFHSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-benzyl-3-methylbutanal
CID 12021275
(2S,3R)-2-benzyl-3-hydroxybutanedial
CID 102204150
2-bromo-3-phenylpropanal;ethane
CID 90858202
2-benzyl-3-phenylbutanedial
CID 175505778
(2S,3S,4R)-2,3,4-tribenzylhex-5-enal
CID 101048116
[(2R)-2-fluoro-2-iodoethyl]benzene
CID 124672761
2-(dimethylamino)-3-phenylpropanal
CID 19361863
(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
(2R)-2-benzyl-3-oxopropanenitrile
CID 93477554
(2S)-2-benzyl-3,3-dimethylbutanal
CID 12021277
(2S)-2-benzyl-4-phenylbutanal
CID 58416977
(2R)-2-iodo-3-phenylpropanoic acid
CID 98007642

Frequently Asked Questions

What is the IUPAC name of (2R)-2-iodo-3-phenylpropanal?
The IUPAC name of (2R)-2-iodo-3-phenylpropanal (CID 53487128) is (2R)-2-iodo-3-phenylpropanal.
What is the SMILES notation for (2R)-2-iodo-3-phenylpropanal?
The canonical SMILES for (2R)-2-iodo-3-phenylpropanal is O=C[C@H](I)Cc1ccccc1.
What is the InChIKey of (2R)-2-iodo-3-phenylpropanal?
The InChIKey is FGXOGVFQSMIASH-SECBINFHSA-N. The full InChI is InChI=1S/C9H9IO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2/t9-/m1/s1.
What are the key properties of (2R)-2-iodo-3-phenylpropanal?
(2R)-2-iodo-3-phenylpropanal has a molecular weight of 260.07 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-iodo-3-phenylpropanal is sourced from PubChem (CID 53487128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).