5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde

C19H20O2 — CID 54849840

IUPAC5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C)cc(C=O)c1OCCc1ccccc1
InChIInChI=1S/C19H20O2/c1-3-7-17-12-15(2)13-18(14-20)19(17)21-11-10-16-8-5-4-6-9-16/h3-6,8-9,12-14H,1,7,10-11H2,2H3
InChIKeyDYYJWKQXUSMSIV-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.16
Rot. Bonds7

About 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde

5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde (PubChem CID 54849840) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde
PubChem CID54849840
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C)cc(C=O)c1OCCc1ccccc1
InChIInChI=1S/C19H20O2/c1-3-7-17-12-15(2)13-18(14-20)19(17)21-11-10-16-8-5-4-6-9-16/h3-6,8-9,12-14H,1,7,10-11H2,2H3
InChIKeyDYYJWKQXUSMSIV-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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'}

Analyze 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614
5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
CID 22039321
5-methyl-2-[8-(4-methylphenyl)octoxy]benzene-1,3-dicarbaldehyde
CID 19930286
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde
CID 19930274
5-chloro-2-(8-phenyloctoxy)benzene-1,3-dicarbaldehyde
CID 19930257
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
5-chloro-2-(2-ethoxyethoxy)-3-prop-2-enylbenzaldehyde
CID 54850175
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
5-butan-2-yl-3-prop-2-enyl-2-propoxybenzaldehyde
CID 54850185
5-bromo-3-methoxy-2-(3-phenylpropoxy)benzaldehyde
CID 20993049

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde?
The IUPAC name of 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde (CID 54849840) is 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde.
What is the SMILES notation for 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde?
The canonical SMILES for 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde is C=CCc1cc(C)cc(C=O)c1OCCc1ccccc1.
What is the InChIKey of 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde?
The InChIKey is DYYJWKQXUSMSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-7-17-12-15(2)13-18(14-20)19(17)21-11-10-16-8-5-4-6-9-16/h3-6,8-9,12-14H,1,7,10-11H2,2H3.
What are the key properties of 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde?
5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde has a molecular weight of 280.37 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde is sourced from PubChem (CID 54849840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).