3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde

C14H20O3 — CID 106453020

IUPAC3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde
SMILESCCCOCCOc1c(C)cc(C=O)cc1C
InChIInChI=1S/C14H20O3/c1-4-5-16-6-7-17-14-11(2)8-13(10-15)9-12(14)3/h8-10H,4-7H2,1-3H3
InChIKeyBXXNYYIKWYJPKD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds7

About 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde

3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde (PubChem CID 106453020) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde
PubChem CID106453020
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde
SMILESCCCOCCOc1c(C)cc(C=O)cc1C
InChIInChI=1S/C14H20O3/c1-4-5-16-6-7-17-14-11(2)8-13(10-15)9-12(14)3/h8-10H,4-7H2,1-3H3
InChIKeyBXXNYYIKWYJPKD-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 61071247
4-[10-(4-formyl-2,6-dimethylphenoxy)decoxy]-3,5-dimethylbenzaldehyde
CID 59072946
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
4-(2-ethylsulfonylethoxy)-3,5-dimethylbenzaldehyde
CID 43807824
3-methyl-5-prop-2-enyl-4-propoxybenzaldehyde
CID 54850083
4-(3-ethylsulfonylpropoxy)-3,5-dimethylbenzaldehyde
CID 65092860
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
4-hept-6-enoxy-3,5-dimethylbenzaldehyde
CID 107007315
5-bromo-3-methyl-2-(2-propoxyethoxy)aniline
CID 54853076
methyl 4-(4-formyl-2,6-dimethylphenoxy)butanoate
CID 43378050
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde?
The IUPAC name of 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde (CID 106453020) is 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde?
The canonical SMILES for 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde is CCCOCCOc1c(C)cc(C=O)cc1C.
What is the InChIKey of 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde?
The InChIKey is BXXNYYIKWYJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-5-16-6-7-17-14-11(2)8-13(10-15)9-12(14)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde?
3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde has a molecular weight of 236.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde is sourced from PubChem (CID 106453020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).