[5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate

C21H23FO4 — CID 134193060

IUPAC[5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(-c2ccc(CCC)cc2F)ccc1OCCO
InChIInChI=1S/C21H23FO4/c1-4-5-15-6-8-17(18(22)12-15)16-7-9-19(25-11-10-23)20(13-16)26-21(24)14(2)3/h6-9,12-13,23H,2,4-5,10-11H2,1,3H3
InChIKeyDEFXDGTZVOLHDB-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.30
Rot. Bonds8

About [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate

[5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate (PubChem CID 134193060) has the molecular formula C21H23FO4 and a molecular weight of 358.41 g/mol. Its IUPAC name is [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate
PubChem CID134193060
Molecular FormulaC21H23FO4
Molecular Weight358.41 g/mol
Exact Mass358.16
IUPAC Name[5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(-c2ccc(CCC)cc2F)ccc1OCCO
InChIInChI=1S/C21H23FO4/c1-4-5-15-6-8-17(18(22)12-15)16-7-9-19(25-11-10-23)20(13-16)26-21(24)14(2)3/h6-9,12-13,23H,2,4-5,10-11H2,1,3H3
InChIKeyDEFXDGTZVOLHDB-UHFFFAOYSA-N
XLogP4.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[4-(2-fluoro-4-pentylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134193418
[4-[3-fluoro-4-[4-(2-methylprop-2-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 170075417
[4-[3-fluoro-4-[4-(3-methyl-2-oxobut-3-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-methoxyphenyl] 2-methylprop-2-enoate
CID 170075434
[4-[2-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]ethenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 123707280
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
[2-(2-hydroxyethoxy)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193027
[4-[2-fluoro-4-[3-(2-methylprop-2-enoyloxy)-4-prop-1-en-2-ylphenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 155372271
[4-[3,4-bis[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phenyl]-3-fluorophenyl] 2-methylprop-2-enoate
CID 126552104
2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 169258521
[2-[3-fluoro-4-[4-(2-hydroxyethoxy)phenyl]phenyl]-5-heptylphenyl]methyl 2-methylprop-2-enoate
CID 134193728
2-[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(2-hydroxyethoxy)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193433
2-[2-(2-fluoro-4-propylphenyl)-5-(hydroxymethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134193114

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate (CID 134193060) is [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(-c2ccc(CCC)cc2F)ccc1OCCO.
What is the InChIKey of [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate?
The InChIKey is DEFXDGTZVOLHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FO4/c1-4-5-15-6-8-17(18(22)12-15)16-7-9-19(25-11-10-23)20(13-16)26-21(24)14(2)3/h6-9,12-13,23H,2,4-5,10-11H2,1,3H3.
What are the key properties of [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate?
[5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate has a molecular weight of 358.41 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-4-propylphenyl)-2-(2-hydroxyethoxy)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 134193060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).