2-(2,2-dihydroxyethyl)benzaldehyde

C9H10O3 — CID 165000650

IUPAC2-(2,2-dihydroxyethyl)benzaldehyde
SMILESO=Cc1ccccc1CC(O)O
InChIInChI=1S/C9H10O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4,6,9,11-12H,5H2
InChIKeyIEYUCVCVRBETPE-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.35
Rot. Bonds3

About 2-(2,2-dihydroxyethyl)benzaldehyde

2-(2,2-dihydroxyethyl)benzaldehyde (PubChem CID 165000650) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(2,2-dihydroxyethyl)benzaldehyde.

Molecular Properties

Compound Name2-(2,2-dihydroxyethyl)benzaldehyde
PubChem CID165000650
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(2,2-dihydroxyethyl)benzaldehyde
SMILESO=Cc1ccccc1CC(O)O
InChIInChI=1S/C9H10O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4,6,9,11-12H,5H2
InChIKeyIEYUCVCVRBETPE-UHFFFAOYSA-N
XLogP0.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-oxopropyl)benzaldehyde
CID 170836637
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-(2-formylphenyl)propanoic acid
CID 101249353
2-[[di(propan-2-yl)amino]methyl]benzaldehyde
CID 91657782
2-(2-methylphosphanyl-2-oxoethyl)benzaldehyde
CID 123953447
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
1-(2-formylphenyl)but-3-en-2-yl methyl carbonate
CID 20765022
2-phenylethyl 2-(2-formylphenyl)acetate
CID 169081961
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
2-(2,2-dimethylpropyl)benzaldehyde
CID 10103697
2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde
CID 165493057
2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
CID 91656478
(2-formylphenyl)methyl dihydrogen phosphate
CID 143907247

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dihydroxyethyl)benzaldehyde?
The IUPAC name of 2-(2,2-dihydroxyethyl)benzaldehyde (CID 165000650) is 2-(2,2-dihydroxyethyl)benzaldehyde.
What is the SMILES notation for 2-(2,2-dihydroxyethyl)benzaldehyde?
The canonical SMILES for 2-(2,2-dihydroxyethyl)benzaldehyde is O=Cc1ccccc1CC(O)O.
What is the InChIKey of 2-(2,2-dihydroxyethyl)benzaldehyde?
The InChIKey is IEYUCVCVRBETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4,6,9,11-12H,5H2.
What are the key properties of 2-(2,2-dihydroxyethyl)benzaldehyde?
2-(2,2-dihydroxyethyl)benzaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dihydroxyethyl)benzaldehyde is sourced from PubChem (CID 165000650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).