4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde

C14H16O3 — CID 10704725

IUPAC4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde
SMILESC=CCOCc1cc(C=O)ccc1OCC=C
InChIInChI=1S/C14H16O3/c1-3-7-16-11-13-9-12(10-15)5-6-14(13)17-8-4-2/h3-6,9-10H,1-2,7-8,11H2
InChIKeyFSPRAQDCXWGDOK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.77
Rot. Bonds8

About 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde

4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde (PubChem CID 10704725) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde.

Molecular Properties

Compound Name4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde
PubChem CID10704725
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde
SMILESC=CCOCc1cc(C=O)ccc1OCC=C
InChIInChI=1S/C14H16O3/c1-3-7-16-11-13-9-12(10-15)5-6-14(13)17-8-4-2/h3-6,9-10H,1-2,7-8,11H2
InChIKeyFSPRAQDCXWGDOK-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.77
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-4-prop-2-enoxybenzaldehyde
CID 130337135
3-ethenyl-4-prop-2-enoxybenzaldehyde
CID 134858679
3-(but-3-enoxymethyl)-4-methoxybenzaldehyde
CID 62031393
4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde
CID 143714272
2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol
CID 66510838
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
2-(4-formyl-2-prop-2-enylphenoxy)propanoic acid
CID 4763763
4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde
CID 106448329
2,4-bis(chloromethyl)-1-prop-2-enoxybenzene
CID 71378688
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde?
The IUPAC name of 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde (CID 10704725) is 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde.
What is the SMILES notation for 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde?
The canonical SMILES for 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde is C=CCOCc1cc(C=O)ccc1OCC=C.
What is the InChIKey of 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde?
The InChIKey is FSPRAQDCXWGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-7-16-11-13-9-12(10-15)5-6-14(13)17-8-4-2/h3-6,9-10H,1-2,7-8,11H2.
What are the key properties of 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde?
4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde has a molecular weight of 232.28 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde is sourced from PubChem (CID 10704725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).