3-hydroxy-4-octoxybenzaldehyde

C15H22O3 — CID 59691799

IUPAC3-hydroxy-4-octoxybenzaldehyde
SMILESCCCCCCCCOc1ccc(C=O)cc1O
InChIInChI=1S/C15H22O3/c1-2-3-4-5-6-7-10-18-15-9-8-13(12-16)11-14(15)17/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyCUBLPFRGFRYLLY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.94
Rot. Bonds9

About 3-hydroxy-4-octoxybenzaldehyde

3-hydroxy-4-octoxybenzaldehyde (PubChem CID 59691799) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-hydroxy-4-octoxybenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-octoxybenzaldehyde
PubChem CID59691799
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-hydroxy-4-octoxybenzaldehyde
SMILESCCCCCCCCOc1ccc(C=O)cc1O
InChIInChI=1S/C15H22O3/c1-2-3-4-5-6-7-10-18-15-9-8-13(12-16)11-14(15)17/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyCUBLPFRGFRYLLY-UHFFFAOYSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-di(tetradecoxy)benzaldehyde
CID 23127451
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
4-nonoxybenzene-1,3-diol
CID 66563301
4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
4-butoxybenzene-1,3-dicarbaldehyde
CID 155702679
3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde;4-hydroxy-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 160989703
4-[(E)-2-[4-[(E)-2-(4-formylphenyl)ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]benzaldehyde
CID 102237302
4-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]benzaldehyde
CID 102190987
3-hexoxy-4-nitrobenzaldehyde
CID 62115715
5-heptoxynaphthalene-2-carbaldehyde
CID 90037600
3,4,5-trihexoxybenzaldehyde
CID 15316903
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-octoxybenzaldehyde?
The IUPAC name of 3-hydroxy-4-octoxybenzaldehyde (CID 59691799) is 3-hydroxy-4-octoxybenzaldehyde.
What is the SMILES notation for 3-hydroxy-4-octoxybenzaldehyde?
The canonical SMILES for 3-hydroxy-4-octoxybenzaldehyde is CCCCCCCCOc1ccc(C=O)cc1O.
What is the InChIKey of 3-hydroxy-4-octoxybenzaldehyde?
The InChIKey is CUBLPFRGFRYLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-3-4-5-6-7-10-18-15-9-8-13(12-16)11-14(15)17/h8-9,11-12,17H,2-7,10H2,1H3.
What are the key properties of 3-hydroxy-4-octoxybenzaldehyde?
3-hydroxy-4-octoxybenzaldehyde has a molecular weight of 250.34 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-octoxybenzaldehyde is sourced from PubChem (CID 59691799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).