4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde

C13H18O4 — CID 59223904

IUPAC4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
SMILESCOCCCOc1cc(C=O)c(C)cc1OC
InChIInChI=1S/C13H18O4/c1-10-7-12(16-3)13(8-11(10)9-14)17-6-4-5-15-2/h7-9H,4-6H2,1-3H3
InChIKeyFNCGBIVUKZDNOW-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.23
Rot. Bonds7

About 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde

4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde (PubChem CID 59223904) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
PubChem CID59223904
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
SMILESCOCCCOc1cc(C=O)c(C)cc1OC
InChIInChI=1S/C13H18O4/c1-10-7-12(16-3)13(8-11(10)9-14)17-6-4-5-15-2/h7-9H,4-6H2,1-3H3
InChIKeyFNCGBIVUKZDNOW-UHFFFAOYSA-N
XLogP2.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
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

2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
(E)-3-(5-butoxy-4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 121432751
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
5-ethenyl-4-methoxy-2-methylbenzaldehyde
CID 167242721
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
CID 20785388
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168
(5-formyl-2-methoxy-4-methylphenyl) trifluoromethanesulfonate
CID 101194457
2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde
CID 16637937
4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde
CID 10081815
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde?
The IUPAC name of 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde (CID 59223904) is 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde.
What is the SMILES notation for 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde?
The canonical SMILES for 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde is COCCCOc1cc(C=O)c(C)cc1OC.
What is the InChIKey of 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde?
The InChIKey is FNCGBIVUKZDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10-7-12(16-3)13(8-11(10)9-14)17-6-4-5-15-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde?
4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde has a molecular weight of 238.28 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde is sourced from PubChem (CID 59223904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).