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

C25H24O3 — CID 134200547

IUPAC[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(-c2ccccc2)ccc1CCc1ccc(CO)cc1
InChIInChI=1S/C25H24O3/c1-2-25(27)28-18-24-16-23(21-6-4-3-5-7-21)15-14-22(24)13-12-19-8-10-20(17-26)11-9-19/h2-11,14-16,26H,1,12-13,17-18H2
InChIKeyASXGMEIXNMENNI-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.86
Rot. Bonds8

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

[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate (PubChem CID 134200547) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate
PubChem CID134200547
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(-c2ccccc2)ccc1CCc1ccc(CO)cc1
InChIInChI=1S/C25H24O3/c1-2-25(27)28-18-24-16-23(21-6-4-3-5-7-21)15-14-22(24)13-12-19-8-10-20(17-26)11-9-19/h2-11,14-16,26H,1,12-13,17-18H2
InChIKeyASXGMEIXNMENNI-UHFFFAOYSA-N
XLogP4.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.86
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-(4-methylphenyl)phenyl]methyl prop-2-enoate
CID 145121937
[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
[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(3-hydroxypropyl)phenyl]methyl prop-2-enoate
CID 134193508
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
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
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
[5-[4-(hydroxymethyl)phenyl]-2-propylphenyl]methyl (E)-2-methylbut-2-enoate
CID 134193261
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
CID 169031580
CID 169031580
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate?
The IUPAC name of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate (CID 134200547) is [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate.
What is the SMILES notation for [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate?
The canonical SMILES for [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate is C=CC(=O)OCc1cc(-c2ccccc2)ccc1CCc1ccc(CO)cc1.
What is the InChIKey of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate?
The InChIKey is ASXGMEIXNMENNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c1-2-25(27)28-18-24-16-23(21-6-4-3-5-7-21)15-14-22(24)13-12-19-8-10-20(17-26)11-9-19/h2-11,14-16,26H,1,12-13,17-18H2.
What are the key properties of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate?
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate has a molecular weight of 372.46 g/mol, XLogP of 4.86, 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-phenylphenyl]methyl prop-2-enoate is sourced from PubChem (CID 134200547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).