4-(2-hydroxybutoxy)benzaldehyde

C11H14O3 — CID 60885218

IUPAC4-(2-hydroxybutoxy)benzaldehyde
SMILESCCC(O)COc1ccc(C=O)cc1
InChIInChI=1S/C11H14O3/c1-2-10(13)8-14-11-5-3-9(7-12)4-6-11/h3-7,10,13H,2,8H2,1H3
InChIKeyHRFXWBSEBIEWLW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.65
Rot. Bonds5

About 4-(2-hydroxybutoxy)benzaldehyde

4-(2-hydroxybutoxy)benzaldehyde (PubChem CID 60885218) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(2-hydroxybutoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2-hydroxybutoxy)benzaldehyde
PubChem CID60885218
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-(2-hydroxybutoxy)benzaldehyde
SMILESCCC(O)COc1ccc(C=O)cc1
InChIInChI=1S/C11H14O3/c1-2-10(13)8-14-11-5-3-9(7-12)4-6-11/h3-7,10,13H,2,8H2,1H3
InChIKeyHRFXWBSEBIEWLW-UHFFFAOYSA-N
XLogP1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyhexoxy)benzaldehyde
CID 87847240
4-[3-[4-[2-[4-[3-(4-formylphenoxy)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]benzaldehyde
CID 100967393
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
CID 60887102
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]butan-2-ol;ethane
CID 143919870
ethyl 4-[(2S)-2-hydroxybutoxy]benzoate
CID 15106108
4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
CID 86645072
4-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]benzaldehyde
CID 991924
4-[2-(difluoromethoxy)ethoxy]benzaldehyde
CID 118384245
4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde
CID 92914884

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxybutoxy)benzaldehyde?
The IUPAC name of 4-(2-hydroxybutoxy)benzaldehyde (CID 60885218) is 4-(2-hydroxybutoxy)benzaldehyde.
What is the SMILES notation for 4-(2-hydroxybutoxy)benzaldehyde?
The canonical SMILES for 4-(2-hydroxybutoxy)benzaldehyde is CCC(O)COc1ccc(C=O)cc1.
What is the InChIKey of 4-(2-hydroxybutoxy)benzaldehyde?
The InChIKey is HRFXWBSEBIEWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-10(13)8-14-11-5-3-9(7-12)4-6-11/h3-7,10,13H,2,8H2,1H3.
What are the key properties of 4-(2-hydroxybutoxy)benzaldehyde?
4-(2-hydroxybutoxy)benzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxybutoxy)benzaldehyde is sourced from PubChem (CID 60885218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).