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

C27H28O4 — CID 134200641

IUPAC[5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)cc2CC)ccc1OCCO
InChIInChI=1S/C27H28O4/c1-4-20-16-22(21-8-6-5-7-9-21)10-12-25(20)23-11-13-26(30-15-14-28)24(17-23)18-31-27(29)19(2)3/h5-13,16-17,28H,2,4,14-15,18H2,1,3H3
InChIKeyWNDOOGVOPYPQHP-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.57
Rot. Bonds9

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

[5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 134200641) has the molecular formula C27H28O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
PubChem CID134200641
Molecular FormulaC27H28O4
Molecular Weight416.52 g/mol
Exact Mass416.20
IUPAC Name[5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)cc2CC)ccc1OCCO
InChIInChI=1S/C27H28O4/c1-4-20-16-22(21-8-6-5-7-9-21)10-12-25(20)23-11-13-26(30-15-14-28)24(17-23)18-31-27(29)19(2)3/h5-13,16-17,28H,2,4,14-15,18H2,1,3H3
InChIKeyWNDOOGVOPYPQHP-UHFFFAOYSA-N
XLogP5.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.57
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

[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
[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 134193399
[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate
CID 134200878
[2-(2-hydroxyethoxy)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193027
2-[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(2-hydroxyethoxy)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193433
2-[2-(2-hydroxyethyl)-5-(2-methyl-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200563
2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate
CID 134201092
[5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl 2-methylprop-2-enoate
CID 145122332
2-[5-(2-hydroxyethoxy)-2-(2-methyl-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200743
3-[2-[3,3-bis(hydroxymethyl)hexoxy]-5-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 138719699
2-[5-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-2-(2-hydroxyethoxy)phenyl]ethyl 2-methylprop-2-enoate
CID 134193415

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate (CID 134200641) is [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)cc2CC)ccc1OCCO.
What is the InChIKey of [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is WNDOOGVOPYPQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O4/c1-4-20-16-22(21-8-6-5-7-9-21)10-12-25(20)23-11-13-26(30-15-14-28)24(17-23)18-31-27(29)19(2)3/h5-13,16-17,28H,2,4,14-15,18H2,1,3H3.
What are the key properties of [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate?
[5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 416.52 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 134200641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).