[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate

C26H26O3 — CID 145121937

IUPAC[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(-c2ccc(C)cc2)ccc1CCc1ccc(CO)cc1
InChIInChI=1S/C26H26O3/c1-3-26(28)29-18-25-16-24(22-11-4-19(2)5-12-22)15-14-23(25)13-10-20-6-8-21(17-27)9-7-20/h3-9,11-12,14-16,27H,1,10,13,17-18H2,2H3
InChIKeySBUUGBGQUTUJGT-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.17
Rot. Bonds8

About [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate

[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate (PubChem CID 145121937) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate
PubChem CID145121937
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(-c2ccc(C)cc2)ccc1CCc1ccc(CO)cc1
InChIInChI=1S/C26H26O3/c1-3-26(28)29-18-25-16-24(22-11-4-19(2)5-12-22)15-14-23(25)13-10-20-6-8-21(17-27)9-7-20/h3-9,11-12,14-16,27H,1,10,13,17-18H2,2H3
InChIKeySBUUGBGQUTUJGT-UHFFFAOYSA-N
XLogP5.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.17
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-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate
CID 134200547
[5-[4-(hydroxymethyl)phenyl]-2-(4-pentylphenyl)phenyl]methyl prop-2-enoate
CID 134193698
[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-[4-(hydroxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 134193871
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
CID 134200295
[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(3-hydroxypropyl)phenyl]methyl prop-2-enoate
CID 134193508
2-[2-(2-hydroxyethyl)-5-(4-propylphenyl)phenyl]ethyl prop-2-enoate
CID 134193082
[2-[4-(3-hydroxypropyl)phenyl]-5-(4-pentylphenyl)phenyl]methyl prop-2-enoate
CID 134193671
[5-[4-(hydroxymethyl)phenyl]-2-propylphenyl]methyl (E)-2-methylbut-2-enoate
CID 134193261
[5-[4-hydroxy-3-(hydroxymethyl)butyl]-2-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]methyl prop-2-enoate
CID 145122789
[5-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)phenyl]methyl (E)-2-methylbut-2-enoate
CID 145122713
[2-methyl-4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethyl)benzoate
CID 145309471
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate?
The IUPAC name of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate (CID 145121937) is [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate?
The canonical SMILES for [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1cc(-c2ccc(C)cc2)ccc1CCc1ccc(CO)cc1.
What is the InChIKey of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate?
The InChIKey is SBUUGBGQUTUJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O3/c1-3-26(28)29-18-25-16-24(22-11-4-19(2)5-12-22)15-14-23(25)13-10-20-6-8-21(17-27)9-7-20/h3-9,11-12,14-16,27H,1,10,13,17-18H2,2H3.
What are the key properties of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate?
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate has a molecular weight of 386.49 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 145121937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).