2-(cyclobutylmethoxy)-4-propoxybenzaldehyde

C15H20O3 — CID 65459200

IUPAC2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC2CCC2)c1
InChIInChI=1S/C15H20O3/c1-2-8-17-14-7-6-13(10-16)15(9-14)18-11-12-4-3-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3
InChIKeyQEOAZBGUJTXPJC-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.47
Rot. Bonds7

About 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde

2-(cyclobutylmethoxy)-4-propoxybenzaldehyde (PubChem CID 65459200) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
PubChem CID65459200
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC2CCC2)c1
InChIInChI=1S/C15H20O3/c1-2-8-17-14-7-6-13(10-16)15(9-14)18-11-12-4-3-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3
InChIKeyQEOAZBGUJTXPJC-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde
CID 106929613
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde
CID 79175399
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde?
The IUPAC name of 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde (CID 65459200) is 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde.
What is the SMILES notation for 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde?
The canonical SMILES for 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde?
The InChIKey is QEOAZBGUJTXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-8-17-14-7-6-13(10-16)15(9-14)18-11-12-4-3-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3.
What are the key properties of 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde?
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde has a molecular weight of 248.32 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethoxy)-4-propoxybenzaldehyde is sourced from PubChem (CID 65459200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).