4-(2-hydroxyhexoxy)benzaldehyde

C13H18O3 — CID 87847240

IUPAC4-(2-hydroxyhexoxy)benzaldehyde
SMILESCCCCC(O)COc1ccc(C=O)cc1
InChIInChI=1S/C13H18O3/c1-2-3-4-12(15)10-16-13-7-5-11(9-14)6-8-13/h5-9,12,15H,2-4,10H2,1H3
InChIKeyIWIDFGWYRBDCRP-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.43
Rot. Bonds7

About 4-(2-hydroxyhexoxy)benzaldehyde

4-(2-hydroxyhexoxy)benzaldehyde (PubChem CID 87847240) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-(2-hydroxyhexoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2-hydroxyhexoxy)benzaldehyde
PubChem CID87847240
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-(2-hydroxyhexoxy)benzaldehyde
SMILESCCCCC(O)COc1ccc(C=O)cc1
InChIInChI=1S/C13H18O3/c1-2-3-4-12(15)10-16-13-7-5-11(9-14)6-8-13/h5-9,12,15H,2-4,10H2,1H3
InChIKeyIWIDFGWYRBDCRP-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.43
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-hydroxybutoxy)benzaldehyde
CID 60885218
4-[(2R)-2-hydroxyhexoxy]benzonitrile
CID 139777729
4-[3-[4-[2-[4-[3-(4-formylphenoxy)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]benzaldehyde
CID 100967393
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-phenoxyheptan-2-ol
CID 12731443
4-icosoxybenzaldehyde
CID 23127488
1-phenoxytetradecan-2-ol
CID 11609222
ethanol;4-octadecoxybenzaldehyde
CID 158692714
1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol
CID 19362455
3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
CID 91252951
4-(1-oxohexan-2-yloxy)benzaldehyde
CID 88989986
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyhexoxy)benzaldehyde?
The IUPAC name of 4-(2-hydroxyhexoxy)benzaldehyde (CID 87847240) is 4-(2-hydroxyhexoxy)benzaldehyde.
What is the SMILES notation for 4-(2-hydroxyhexoxy)benzaldehyde?
The canonical SMILES for 4-(2-hydroxyhexoxy)benzaldehyde is CCCCC(O)COc1ccc(C=O)cc1.
What is the InChIKey of 4-(2-hydroxyhexoxy)benzaldehyde?
The InChIKey is IWIDFGWYRBDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-3-4-12(15)10-16-13-7-5-11(9-14)6-8-13/h5-9,12,15H,2-4,10H2,1H3.
What are the key properties of 4-(2-hydroxyhexoxy)benzaldehyde?
4-(2-hydroxyhexoxy)benzaldehyde has a molecular weight of 222.28 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyhexoxy)benzaldehyde is sourced from PubChem (CID 87847240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).