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

C22H26O3 — CID 134193246

IUPAC[5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(CO)cc2C)ccc1CCC
InChIInChI=1S/C22H26O3/c1-5-6-18-8-9-19(12-20(18)14-25-22(24)15(2)3)21-10-7-17(13-23)11-16(21)4/h7-12,23H,2,5-6,13-14H2,1,3-4H3
InChIKeySGJVRNDSBSSERC-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.73
Rot. Bonds7

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

[5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate (PubChem CID 134193246) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate
PubChem CID134193246
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name[5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(CO)cc2C)ccc1CCC
InChIInChI=1S/C22H26O3/c1-5-6-18-8-9-19(12-20(18)14-25-22(24)15(2)3)21-10-7-17(13-23)11-16(21)4/h7-12,23H,2,5-6,13-14H2,1,3-4H3
InChIKeySGJVRNDSBSSERC-UHFFFAOYSA-N
XLogP4.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.73
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

[5-(hydroxymethyl)-2-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193104
[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193028
[5-[4-(hydroxymethyl)phenyl]-2-propylphenyl]methyl (E)-2-methylbut-2-enoate
CID 134193261
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
CID 134200295
3-[2-(hydroxymethyl)-5-[2-methyl-4-(4-pentylphenyl)phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193297
[2-[2-fluoro-4-(hydroxymethyl)phenyl]-5-(4-pentylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193635
[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-[[4-[2-[4-[4-(3-ethyl-4-pentylphenyl)-3-methylphenyl]phenyl]ethyl]phenyl]methyl]-3-hydroxypropyl] 2-methylprop-2-enoate
CID 138529257
[2-(2-hydroxyethoxy)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193027
[2-[4-(4-cyclohexylphenyl)-3-methylphenyl]-5-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 134201033
2-[2-[4-(hydroxymethyl)phenyl]-5-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 134200446

Frequently Asked Questions

What is the IUPAC name of [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate (CID 134193246) is [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(-c2ccc(CO)cc2C)ccc1CCC.
What is the InChIKey of [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate?
The InChIKey is SGJVRNDSBSSERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-5-6-18-8-9-19(12-20(18)14-25-22(24)15(2)3)21-10-7-17(13-23)11-16(21)4/h7-12,23H,2,5-6,13-14H2,1,3-4H3.
What are the key properties of [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate?
[5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate has a molecular weight of 338.45 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 134193246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).