2,4-dibutoxy-5-chlorobenzaldehyde

C15H21ClO3 — CID 164897800

IUPAC2,4-dibutoxy-5-chlorobenzaldehyde
SMILESCCCCOc1cc(OCCCC)c(C=O)cc1Cl
InChIInChI=1S/C15H21ClO3/c1-3-5-7-18-14-10-15(19-8-6-4-2)13(16)9-12(14)11-17/h9-11H,3-8H2,1-2H3
InChIKeyLEZYGLCQTMETRZ-UHFFFAOYSA-N
MW284.78 g/mol
LogP4.51
Rot. Bonds9

About 2,4-dibutoxy-5-chlorobenzaldehyde

2,4-dibutoxy-5-chlorobenzaldehyde (PubChem CID 164897800) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 2,4-dibutoxy-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2,4-dibutoxy-5-chlorobenzaldehyde
PubChem CID164897800
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name2,4-dibutoxy-5-chlorobenzaldehyde
SMILESCCCCOc1cc(OCCCC)c(C=O)cc1Cl
InChIInChI=1S/C15H21ClO3/c1-3-5-7-18-14-10-15(19-8-6-4-2)13(16)9-12(14)11-17/h9-11H,3-8H2,1-2H3
InChIKeyLEZYGLCQTMETRZ-UHFFFAOYSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,4-dibutoxy-5-tert-butylbenzaldehyde
CID 89282497
2-butoxy-4-methylbenzaldehyde
CID 162455333
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
4-butoxybenzene-1,3-dicarbaldehyde
CID 155702679
2-amino-4-chloro-5-ethoxybenzaldehyde
CID 130139421
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
2-butoxy-3-chloro-5-fluorobenzaldehyde
CID 90384298
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
1,2,4-trichloro-5-undecoxybenzene
CID 518118
7-butoxy-2-oxochromene-6-carbaldehyde
CID 88582324
4-ethynyl-2,5-dioctoxybenzaldehyde
CID 71440726
6-nonoxy-1,3-benzodioxole-5-carbaldehyde
CID 63529679

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutoxy-5-chlorobenzaldehyde?
The IUPAC name of 2,4-dibutoxy-5-chlorobenzaldehyde (CID 164897800) is 2,4-dibutoxy-5-chlorobenzaldehyde.
What is the SMILES notation for 2,4-dibutoxy-5-chlorobenzaldehyde?
The canonical SMILES for 2,4-dibutoxy-5-chlorobenzaldehyde is CCCCOc1cc(OCCCC)c(C=O)cc1Cl.
What is the InChIKey of 2,4-dibutoxy-5-chlorobenzaldehyde?
The InChIKey is LEZYGLCQTMETRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-3-5-7-18-14-10-15(19-8-6-4-2)13(16)9-12(14)11-17/h9-11H,3-8H2,1-2H3.
What are the key properties of 2,4-dibutoxy-5-chlorobenzaldehyde?
2,4-dibutoxy-5-chlorobenzaldehyde has a molecular weight of 284.78 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutoxy-5-chlorobenzaldehyde is sourced from PubChem (CID 164897800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).