(3R)-3-hydroxy-4-phenylbutanal

C10H12O2 — CID 13425167

IUPAC(3R)-3-hydroxy-4-phenylbutanal
SMILESO=CC[C@H](O)Cc1ccccc1
InChIInChI=1S/C10H12O2/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5,7,10,12H,6,8H2/t10-/m0/s1
InChIKeyWDFUIOMPPFNTRI-JTQLQIEISA-N
MW164.20 g/mol
LogP1.18
Rot. Bonds4

About (3R)-3-hydroxy-4-phenylbutanal

(3R)-3-hydroxy-4-phenylbutanal (PubChem CID 13425167) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-phenylbutanal.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-phenylbutanal
PubChem CID13425167
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3R)-3-hydroxy-4-phenylbutanal
SMILESO=CC[C@H](O)Cc1ccccc1
InChIInChI=1S/C10H12O2/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5,7,10,12H,6,8H2/t10-/m0/s1
InChIKeyWDFUIOMPPFNTRI-JTQLQIEISA-N
XLogP1.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-phenylpent-4-en-2-ol
CID 11309688
1,6-diphenylhexane-2,5-diol
CID 15072586
(2S,3R)-2-benzyl-3-hydroxybutanedial
CID 102204150
3-benzyl-5-methylhexanal
CID 91400659
(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one
CID 101206556
methyl 2-benzyl-4-oxobutanoate
CID 10608348
(E)-8-chloro-1-phenyloct-4-en-2-ol
CID 102471896
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
2-benzyl-3-phenylpropanoate;2-phenylacetaldehyde
CID 21117113
ethane;3-(methylamino)-4-phenylbutanal
CID 91231416
2-hydroxy-3-phenylpropane-1-sulfonic acid
CID 115029572
(2S)-1-phenylhex-5-en-2-ol
CID 102339258

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-phenylbutanal?
The IUPAC name of (3R)-3-hydroxy-4-phenylbutanal (CID 13425167) is (3R)-3-hydroxy-4-phenylbutanal.
What is the SMILES notation for (3R)-3-hydroxy-4-phenylbutanal?
The canonical SMILES for (3R)-3-hydroxy-4-phenylbutanal is O=CC[C@H](O)Cc1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-4-phenylbutanal?
The InChIKey is WDFUIOMPPFNTRI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12O2/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5,7,10,12H,6,8H2/t10-/m0/s1.
What are the key properties of (3R)-3-hydroxy-4-phenylbutanal?
(3R)-3-hydroxy-4-phenylbutanal has a molecular weight of 164.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-phenylbutanal is sourced from PubChem (CID 13425167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).