(3S)-3-hydroxy-3-phenylpropanal

C9H10O2 — CID 13061659

IUPAC(3S)-3-hydroxy-3-phenylpropanal
SMILESO=CC[C@H](O)c1ccccc1
InChIInChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m0/s1
InChIKeyGSXXASFBNUNZBP-VIFPVBQESA-N
MW150.18 g/mol
LogP1.31
Rot. Bonds3

About (3S)-3-hydroxy-3-phenylpropanal

(3S)-3-hydroxy-3-phenylpropanal (PubChem CID 13061659) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-phenylpropanal.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-phenylpropanal
PubChem CID13061659
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(3S)-3-hydroxy-3-phenylpropanal
SMILESO=CC[C@H](O)c1ccccc1
InChIInChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m0/s1
InChIKeyGSXXASFBNUNZBP-VIFPVBQESA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.31
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

3-hydroxy-3-(4-propan-2-ylphenyl)propanal
CID 114795189
3-(3-aminophenyl)-3-hydroxypropanal
CID 102502170
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
(E)-4-chloro-1-phenylbut-3-en-1-ol
CID 11240835
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
CID 124567652
(3R)-3-phenylbutanal
CID 10877278
(3R)-3-amino-3-phenylpropanal
CID 142843115
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(2R,3S)-5-oxo-2,3-diphenylpentanoic acid
CID 162406136
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-phenylpropanal?
The IUPAC name of (3S)-3-hydroxy-3-phenylpropanal (CID 13061659) is (3S)-3-hydroxy-3-phenylpropanal.
What is the SMILES notation for (3S)-3-hydroxy-3-phenylpropanal?
The canonical SMILES for (3S)-3-hydroxy-3-phenylpropanal is O=CC[C@H](O)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-3-phenylpropanal?
The InChIKey is GSXXASFBNUNZBP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-phenylpropanal?
(3S)-3-hydroxy-3-phenylpropanal has a molecular weight of 150.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-phenylpropanal is sourced from PubChem (CID 13061659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).