4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde

C16H24O4 — CID 59839085

IUPAC4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCCCCCCCCO
InChIInChI=1S/C16H24O4/c1-19-16-12-14(13-18)8-9-15(16)20-11-7-5-3-2-4-6-10-17/h8-9,12-13,17H,2-7,10-11H2,1H3
InChIKeyNIYNFXYLBALNSP-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.22
Rot. Bonds11

About 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde

4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde (PubChem CID 59839085) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
PubChem CID59839085
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCCCCCCCCO
InChIInChI=1S/C16H24O4/c1-19-16-12-14(13-18)8-9-15(16)20-11-7-5-3-2-4-6-10-17/h8-9,12-13,17H,2-7,10-11H2,1H3
InChIKeyNIYNFXYLBALNSP-UHFFFAOYSA-N
XLogP3.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
4-(3-amino-3-hydroxypropoxy)-3-methoxybenzaldehyde
CID 174439542
3-hept-6-enoxy-4-methoxybenzaldehyde
CID 107007313
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2284376
4-(3,8-dihydroxy-1-oxooctan-2-yl)oxy-3-methoxybenzaldehyde
CID 175557273
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790

Frequently Asked Questions

What is the IUPAC name of 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde?
The IUPAC name of 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde (CID 59839085) is 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCCCCCCCCO.
What is the InChIKey of 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde?
The InChIKey is NIYNFXYLBALNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-19-16-12-14(13-18)8-9-15(16)20-11-7-5-3-2-4-6-10-17/h8-9,12-13,17H,2-7,10-11H2,1H3.
What are the key properties of 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde?
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde has a molecular weight of 280.36 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 59839085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).