[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate

C21H24O3 — CID 134193028

IUPAC[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(CCC)cc2)ccc1CO
InChIInChI=1S/C21H24O3/c1-4-5-16-6-8-17(9-7-16)18-10-11-19(13-22)20(12-18)14-24-21(23)15(2)3/h6-12,22H,2,4-5,13-14H2,1,3H3
InChIKeyVEUKNWXJPGXBGH-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.42
Rot. Bonds7

About [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate

[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 134193028) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
PubChem CID134193028
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(CCC)cc2)ccc1CO
InChIInChI=1S/C21H24O3/c1-4-5-16-6-8-17(9-7-16)18-10-11-19(13-22)20(12-18)14-24-21(23)15(2)3/h6-12,22H,2,4-5,13-14H2,1,3H3
InChIKeyVEUKNWXJPGXBGH-UHFFFAOYSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2-hydroxyethoxy)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193027
[5-(hydroxymethyl)-2-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193104
2-[2-(hydroxymethyl)-5-(4-propylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193047
[5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate
CID 134193246
3-[2-(3-hydroxypropyl)-5-(4-propylphenyl)phenyl]propyl 2-methylprop-2-enoate
CID 134193029
[5-[4-(hydroxymethyl)phenyl]-2-propylphenyl]methyl (E)-2-methylbut-2-enoate
CID 134193261
[5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122358
[5-[2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]-2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122040
[2-(2-methylprop-2-enoyloxymethyl)-4-[4-(4-octylphenyl)phenyl]phenyl] 2-(hydroxymethyl)prop-2-enoate
CID 155200133
[2-[2-fluoro-4-(hydroxymethyl)phenyl]-5-(4-pentylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193635
3-[2-(hydroxymethyl)-5-[2-methyl-4-(4-pentylphenyl)phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193297
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
CID 134200295

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate (CID 134193028) is [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(-c2ccc(CCC)cc2)ccc1CO.
What is the InChIKey of [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is VEUKNWXJPGXBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-4-5-16-6-8-17(9-7-16)18-10-11-19(13-22)20(12-18)14-24-21(23)15(2)3/h6-12,22H,2,4-5,13-14H2,1,3H3.
What are the key properties of [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate?
[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 324.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 134193028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).