3-benzyl-4-prop-2-enoxybenzaldehyde

C17H16O2 — CID 130337135

IUPAC3-benzyl-4-prop-2-enoxybenzaldehyde
SMILESC=CCOc1ccc(C=O)cc1Cc1ccccc1
InChIInChI=1S/C17H16O2/c1-2-10-19-17-9-8-15(13-18)12-16(17)11-14-6-4-3-5-7-14/h2-9,12-13H,1,10-11H2
InChIKeyYRIORTCNCXOOAV-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.65
Rot. Bonds6

About 3-benzyl-4-prop-2-enoxybenzaldehyde

3-benzyl-4-prop-2-enoxybenzaldehyde (PubChem CID 130337135) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-benzyl-4-prop-2-enoxybenzaldehyde.

Molecular Properties

Compound Name3-benzyl-4-prop-2-enoxybenzaldehyde
PubChem CID130337135
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-benzyl-4-prop-2-enoxybenzaldehyde
SMILESC=CCOc1ccc(C=O)cc1Cc1ccccc1
InChIInChI=1S/C17H16O2/c1-2-10-19-17-9-8-15(13-18)12-16(17)11-14-6-4-3-5-7-14/h2-9,12-13H,1,10-11H2
InChIKeyYRIORTCNCXOOAV-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde
CID 10704725
3-ethenyl-4-prop-2-enoxybenzaldehyde
CID 134858679
4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde
CID 86235408
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
formaldehyde;3-(hydroxymethyl)-4-(2-phenylethoxy)benzaldehyde;propane;hydrate
CID 142118213
3-[[benzyl(ethyl)amino]methyl]-4-phenylmethoxybenzaldehyde
CID 22716790
2-(4-formyl-2-prop-2-enylphenoxy)propanoic acid
CID 4763763
4-phenyl-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 155642904
4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde
CID 143714272
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235410

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-prop-2-enoxybenzaldehyde?
The IUPAC name of 3-benzyl-4-prop-2-enoxybenzaldehyde (CID 130337135) is 3-benzyl-4-prop-2-enoxybenzaldehyde.
What is the SMILES notation for 3-benzyl-4-prop-2-enoxybenzaldehyde?
The canonical SMILES for 3-benzyl-4-prop-2-enoxybenzaldehyde is C=CCOc1ccc(C=O)cc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-prop-2-enoxybenzaldehyde?
The InChIKey is YRIORTCNCXOOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-10-19-17-9-8-15(13-18)12-16(17)11-14-6-4-3-5-7-14/h2-9,12-13H,1,10-11H2.
What are the key properties of 3-benzyl-4-prop-2-enoxybenzaldehyde?
3-benzyl-4-prop-2-enoxybenzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-prop-2-enoxybenzaldehyde is sourced from PubChem (CID 130337135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).