2-(2-methylpropoxy)-4-propoxybenzaldehyde

C14H20O3 — CID 43388343

IUPAC2-(2-methylpropoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC(C)C)c1
InChIInChI=1S/C14H20O3/c1-4-7-16-13-6-5-12(9-15)14(8-13)17-10-11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyRJXQPZXMFWQCMV-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.32
Rot. Bonds7

About 2-(2-methylpropoxy)-4-propoxybenzaldehyde

2-(2-methylpropoxy)-4-propoxybenzaldehyde (PubChem CID 43388343) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-methylpropoxy)-4-propoxybenzaldehyde
PubChem CID43388343
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(2-methylpropoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC(C)C)c1
InChIInChI=1S/C14H20O3/c1-4-7-16-13-6-5-12(9-15)14(8-13)17-10-11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyRJXQPZXMFWQCMV-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.32
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-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde
CID 113235685
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
4-propoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616036
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386
2-(2-formyl-5-propoxyphenoxy)butanamide
CID 62901200

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-4-propoxybenzaldehyde?
The IUPAC name of 2-(2-methylpropoxy)-4-propoxybenzaldehyde (CID 43388343) is 2-(2-methylpropoxy)-4-propoxybenzaldehyde.
What is the SMILES notation for 2-(2-methylpropoxy)-4-propoxybenzaldehyde?
The canonical SMILES for 2-(2-methylpropoxy)-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCC(C)C)c1.
What is the InChIKey of 2-(2-methylpropoxy)-4-propoxybenzaldehyde?
The InChIKey is RJXQPZXMFWQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-7-16-13-6-5-12(9-15)14(8-13)17-10-11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)-4-propoxybenzaldehyde?
2-(2-methylpropoxy)-4-propoxybenzaldehyde has a molecular weight of 236.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-4-propoxybenzaldehyde is sourced from PubChem (CID 43388343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).