(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde

C9H10O2 — CID 130026128

IUPAC(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
SMILESCc1ccc([C@H](O)C=O)cc1
InChIInChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6,9,11H,1H3/t9-/m1/s1
InChIKeyRAYOBZZZVWFDKL-SECBINFHSA-N
MW150.18 g/mol
LogP1.23
Rot. Bonds2

About (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde

(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde (PubChem CID 130026128) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
PubChem CID130026128
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
SMILESCc1ccc([C@H](O)C=O)cc1
InChIInChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6,9,11H,1H3/t9-/m1/s1
InChIKeyRAYOBZZZVWFDKL-SECBINFHSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.23
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

1-(4-methylphenyl)prop-2-en-1-ol
CID 10931590
2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde
CID 87666627
2-(4-methylphenyl)propanedial
CID 2736930
2,2-bis(4-methylphenyl)acetaldehyde
CID 10867935
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
(E)-1-(4-methylphenyl)but-2-en-1-ol
CID 10866652
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
4-methyl-1-(4-methylphenyl)penta-2,3-dien-1-ol
CID 130125593
(E)-1-(4-methylphenyl)but-2-ene-1,4-diol
CID 70488994
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde
CID 90657292
(E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc
CID 11289501
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde?
The IUPAC name of (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde (CID 130026128) is (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde.
What is the SMILES notation for (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde?
The canonical SMILES for (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde is Cc1ccc([C@H](O)C=O)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde?
The InChIKey is RAYOBZZZVWFDKL-SECBINFHSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6,9,11H,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde?
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde is sourced from PubChem (CID 130026128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).