[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate

C25H24O4 — CID 134200878

IUPAC[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccccc2)ccc1-c1ccc(OCCO)cc1
InChIInChI=1S/C25H24O4/c1-18(2)25(27)29-17-22-16-21(19-6-4-3-5-7-19)10-13-24(22)20-8-11-23(12-9-20)28-15-14-26/h3-13,16,26H,1,14-15,17H2,2H3
InChIKeyIYORXQWUGWDEFX-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.01
Rot. Bonds8

About [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate

[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate (PubChem CID 134200878) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate
PubChem CID134200878
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccccc2)ccc1-c1ccc(OCCO)cc1
InChIInChI=1S/C25H24O4/c1-18(2)25(27)29-17-22-16-21(19-6-4-3-5-7-19)10-13-24(22)20-8-11-23(12-9-20)28-15-14-26/h3-13,16,26H,1,14-15,17H2,2H3
InChIKeyIYORXQWUGWDEFX-UHFFFAOYSA-N
XLogP5.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 134200641
[2-(2-hydroxyethoxy)-5-(4-phenylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200774
[5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 134201012
2-[4-(3-fluoro-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 67641327
2-[5-(2-hydroxyethoxy)-2-(2-methyl-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200743
[2-[3-fluoro-4-[4-(2-hydroxyethoxy)phenyl]phenyl]-5-heptylphenyl]methyl 2-methylprop-2-enoate
CID 134193728
2-[4-[3-ethyl-4-[2-ethyl-4-(3-hydroxypropyl)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 118699985
[2-(2-hydroxyethoxy)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193027
[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 134193399
2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134200423
benzoic acid;6-(4-phenylphenoxy)hexyl 2-methylprop-2-enoate
CID 162035072
[2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate
CID 134200904

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate (CID 134200878) is [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(-c2ccccc2)ccc1-c1ccc(OCCO)cc1.
What is the InChIKey of [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate?
The InChIKey is IYORXQWUGWDEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-18(2)25(27)29-17-22-16-21(19-6-4-3-5-7-19)10-13-24(22)20-8-11-23(12-9-20)28-15-14-26/h3-13,16,26H,1,14-15,17H2,2H3.
What are the key properties of [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate?
[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate has a molecular weight of 388.46 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 134200878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).