2-methoxy-4-(4-oxoheptoxy)benzaldehyde

C15H20O4 — CID 58198820

IUPAC2-methoxy-4-(4-oxoheptoxy)benzaldehyde
SMILESCCCC(=O)CCCOc1ccc(C=O)c(OC)c1
InChIInChI=1S/C15H20O4/c1-3-5-13(17)6-4-9-19-14-8-7-12(11-16)15(10-14)18-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyKECFRAFVWVTFKQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.04
Rot. Bonds9

About 2-methoxy-4-(4-oxoheptoxy)benzaldehyde

2-methoxy-4-(4-oxoheptoxy)benzaldehyde (PubChem CID 58198820) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methoxy-4-(4-oxoheptoxy)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-(4-oxoheptoxy)benzaldehyde
PubChem CID58198820
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-methoxy-4-(4-oxoheptoxy)benzaldehyde
SMILESCCCC(=O)CCCOc1ccc(C=O)c(OC)c1
InChIInChI=1S/C15H20O4/c1-3-5-13(17)6-4-9-19-14-8-7-12(11-16)15(10-14)18-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyKECFRAFVWVTFKQ-UHFFFAOYSA-N
XLogP3.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.04
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

4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide
CID 121344830
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312
5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde
CID 58281074
(4-formyl-3-methoxyphenyl) 4-heptoxybenzoate;4-heptoxybenzoic acid
CID 157129193
N-ethyl-2,6-bis[4-(4-formyl-3-methoxyphenoxy)butanoylamino]hexanamide
CID 134942745
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
CID 51340439
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-oxoheptoxy)benzaldehyde?
The IUPAC name of 2-methoxy-4-(4-oxoheptoxy)benzaldehyde (CID 58198820) is 2-methoxy-4-(4-oxoheptoxy)benzaldehyde.
What is the SMILES notation for 2-methoxy-4-(4-oxoheptoxy)benzaldehyde?
The canonical SMILES for 2-methoxy-4-(4-oxoheptoxy)benzaldehyde is CCCC(=O)CCCOc1ccc(C=O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(4-oxoheptoxy)benzaldehyde?
The InChIKey is KECFRAFVWVTFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-5-13(17)6-4-9-19-14-8-7-12(11-16)15(10-14)18-2/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-methoxy-4-(4-oxoheptoxy)benzaldehyde?
2-methoxy-4-(4-oxoheptoxy)benzaldehyde has a molecular weight of 264.32 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-oxoheptoxy)benzaldehyde is sourced from PubChem (CID 58198820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).