(3R)-3-(4-hydroxyphenyl)-3-iodopropanal

C9H9IO2 — CID 89093211

IUPAC(3R)-3-(4-hydroxyphenyl)-3-iodopropanal
SMILESO=CC[C@@H](I)c1ccc(O)cc1
InChIInChI=1S/C9H9IO2/c10-9(5-6-11)7-1-3-8(12)4-2-7/h1-4,6,9,12H,5H2/t9-/m1/s1
InChIKeyAUUUBDFZWPHYGY-SECBINFHSA-N
MW276.07 g/mol
LogP2.46
Rot. Bonds3

About (3R)-3-(4-hydroxyphenyl)-3-iodopropanal

(3R)-3-(4-hydroxyphenyl)-3-iodopropanal (PubChem CID 89093211) has the molecular formula C9H9IO2 and a molecular weight of 276.07 g/mol. Its IUPAC name is (3R)-3-(4-hydroxyphenyl)-3-iodopropanal.

Molecular Properties

Compound Name(3R)-3-(4-hydroxyphenyl)-3-iodopropanal
PubChem CID89093211
Molecular FormulaC9H9IO2
Molecular Weight276.07 g/mol
Exact Mass275.96
IUPAC Name(3R)-3-(4-hydroxyphenyl)-3-iodopropanal
SMILESO=CC[C@@H](I)c1ccc(O)cc1
InChIInChI=1S/C9H9IO2/c10-9(5-6-11)7-1-3-8(12)4-2-7/h1-4,6,9,12H,5H2/t9-/m1/s1
InChIKeyAUUUBDFZWPHYGY-SECBINFHSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4,4,4-trifluoro-3-(4-hydroxyphenyl)butanal
CID 115030419
3-(4-hydroxyphenyl)hex-4-ynal
CID 118155735
2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid
CID 141025701
3-(4-hydroxyphenyl)heptanal
CID 91485850
(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
CID 155461000
3-chloro-2-(4-hydroxyphenyl)propanal
CID 174457268
5-hydroxy-2-(4-oxobutan-2-yl)benzaldehyde
CID 117282912
2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde
CID 143479390
3-chloro-3-(3,4-dihydroxyphenyl)propanal
CID 88598261
3-(4-iodophenyl)butanal
CID 101197273
3-hydroxy-3-(4-propan-2-ylphenyl)propanal
CID 114795189
3-(4-hydroxyphenyl)sulfanylpropanal
CID 20780827

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-hydroxyphenyl)-3-iodopropanal?
The IUPAC name of (3R)-3-(4-hydroxyphenyl)-3-iodopropanal (CID 89093211) is (3R)-3-(4-hydroxyphenyl)-3-iodopropanal.
What is the SMILES notation for (3R)-3-(4-hydroxyphenyl)-3-iodopropanal?
The canonical SMILES for (3R)-3-(4-hydroxyphenyl)-3-iodopropanal is O=CC[C@@H](I)c1ccc(O)cc1.
What is the InChIKey of (3R)-3-(4-hydroxyphenyl)-3-iodopropanal?
The InChIKey is AUUUBDFZWPHYGY-SECBINFHSA-N. The full InChI is InChI=1S/C9H9IO2/c10-9(5-6-11)7-1-3-8(12)4-2-7/h1-4,6,9,12H,5H2/t9-/m1/s1.
What are the key properties of (3R)-3-(4-hydroxyphenyl)-3-iodopropanal?
(3R)-3-(4-hydroxyphenyl)-3-iodopropanal has a molecular weight of 276.07 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-hydroxyphenyl)-3-iodopropanal is sourced from PubChem (CID 89093211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).