3-hydroxy-4-(3-methoxypropoxy)benzaldehyde

C11H14O4 — CID 86730352

IUPAC3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
SMILESCOCCCOc1ccc(C=O)cc1O
InChIInChI=1S/C11H14O4/c1-14-5-2-6-15-11-4-3-9(8-12)7-10(11)13/h3-4,7-8,13H,2,5-6H2,1H3
InChIKeyQOXBRUUVGMQXIB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.62
Rot. Bonds6

About 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde

3-hydroxy-4-(3-methoxypropoxy)benzaldehyde (PubChem CID 86730352) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
PubChem CID86730352
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
SMILESCOCCCOc1ccc(C=O)cc1O
InChIInChI=1S/C11H14O4/c1-14-5-2-6-15-11-4-3-9(8-12)7-10(11)13/h3-4,7-8,13H,2,5-6H2,1H3
InChIKeyQOXBRUUVGMQXIB-UHFFFAOYSA-N
XLogP1.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.62
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

3-hydroxy-4-octoxybenzaldehyde
CID 59691799
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
3-iodo-4-(2-methoxyethoxy)benzaldehyde
CID 169488676
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane
CID 142097693
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde?
The IUPAC name of 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde (CID 86730352) is 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde.
What is the SMILES notation for 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde?
The canonical SMILES for 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde is COCCCOc1ccc(C=O)cc1O.
What is the InChIKey of 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde?
The InChIKey is QOXBRUUVGMQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-5-2-6-15-11-4-3-9(8-12)7-10(11)13/h3-4,7-8,13H,2,5-6H2,1H3.
What are the key properties of 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde?
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-methoxypropoxy)benzaldehyde is sourced from PubChem (CID 86730352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).