2,5-dimethoxy-4-propoxybenzaldehyde

C12H16O4 — CID 614240

IUPAC2,5-dimethoxy-4-propoxybenzaldehyde
SMILESCCCOc1cc(OC)c(C=O)cc1OC
InChIInChI=1S/C12H16O4/c1-4-5-16-12-7-10(14-2)9(8-13)6-11(12)15-3/h6-8H,4-5H2,1-3H3
InChIKeyQSBRHRZLPYAVNF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.31
Rot. Bonds6

About 2,5-dimethoxy-4-propoxybenzaldehyde

2,5-dimethoxy-4-propoxybenzaldehyde (PubChem CID 614240) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,5-dimethoxy-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2,5-dimethoxy-4-propoxybenzaldehyde
PubChem CID614240
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2,5-dimethoxy-4-propoxybenzaldehyde
SMILESCCCOc1cc(OC)c(C=O)cc1OC
InChIInChI=1S/C12H16O4/c1-4-5-16-12-7-10(14-2)9(8-13)6-11(12)15-3/h6-8H,4-5H2,1-3H3
InChIKeyQSBRHRZLPYAVNF-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
4-hexoxy-5-methoxy-2-nitrobenzaldehyde
CID 43311603
4-[(E)-2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]-2,5-dipropoxybenzaldehyde
CID 101039108
4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
CID 59223904
2,6-dimethoxy-4-propoxybenzaldehyde
CID 138453658
1-(2,2-dibromoethenyl)-2-iodo-5-methoxy-4-propoxybenzene
CID 58718325
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-methoxy-2-nitro-4-(4-oxobutoxy)benzaldehyde
CID 145400075
5-(3-fluoropropoxy)-4-methoxy-2-nitrobenzaldehyde
CID 25051843
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-propoxybenzaldehyde?
The IUPAC name of 2,5-dimethoxy-4-propoxybenzaldehyde (CID 614240) is 2,5-dimethoxy-4-propoxybenzaldehyde.
What is the SMILES notation for 2,5-dimethoxy-4-propoxybenzaldehyde?
The canonical SMILES for 2,5-dimethoxy-4-propoxybenzaldehyde is CCCOc1cc(OC)c(C=O)cc1OC.
What is the InChIKey of 2,5-dimethoxy-4-propoxybenzaldehyde?
The InChIKey is QSBRHRZLPYAVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-5-16-12-7-10(14-2)9(8-13)6-11(12)15-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethoxy-4-propoxybenzaldehyde?
2,5-dimethoxy-4-propoxybenzaldehyde has a molecular weight of 224.26 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-propoxybenzaldehyde is sourced from PubChem (CID 614240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).