5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde

C19H20O2 — CID 22039321

IUPAC5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(CC)cc(C=O)c1OCc1ccccc1
InChIInChI=1S/C19H20O2/c1-3-8-17-11-15(4-2)12-18(13-20)19(17)21-14-16-9-6-5-7-10-16/h3,5-7,9-13H,1,4,8,14H2,2H3
InChIKeyXFWWSTGRJSRUBI-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.37
Rot. Bonds7

About 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde

5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde (PubChem CID 22039321) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
PubChem CID22039321
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(CC)cc(C=O)c1OCc1ccccc1
InChIInChI=1S/C19H20O2/c1-3-8-17-11-15(4-2)12-18(13-20)19(17)21-14-16-9-6-5-7-10-16/h3,5-7,9-13H,1,4,8,14H2,2H3
InChIKeyXFWWSTGRJSRUBI-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.37
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

5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde
CID 54849840
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
CID 68583368
3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate
CID 69312280
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
6-bromo-8-methyl-4-oxo-7-phenylmethoxychromene-3-carbaldehyde
CID 139223600
6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 68584813
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene
CID 91446347

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde?
The IUPAC name of 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde (CID 22039321) is 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde.
What is the SMILES notation for 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde?
The canonical SMILES for 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde is C=CCc1cc(CC)cc(C=O)c1OCc1ccccc1.
What is the InChIKey of 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde?
The InChIKey is XFWWSTGRJSRUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-8-17-11-15(4-2)12-18(13-20)19(17)21-14-16-9-6-5-7-10-16/h3,5-7,9-13H,1,4,8,14H2,2H3.
What are the key properties of 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde?
5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde has a molecular weight of 280.37 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde is sourced from PubChem (CID 22039321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).