2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate

C24H21FO4 — CID 134200809

IUPAC2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2F)ccc1CO
InChIInChI=1S/C24H21FO4/c1-2-24(27)29-13-12-28-23-15-19(8-9-20(23)16-26)21-11-10-18(14-22(21)25)17-6-4-3-5-7-17/h2-11,14-15,26H,1,12-13,16H2
InChIKeyWNNJHJZSOSFOOO-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.76
Rot. Bonds8

About 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate

2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate (PubChem CID 134200809) has the molecular formula C24H21FO4 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate
PubChem CID134200809
Molecular FormulaC24H21FO4
Molecular Weight392.43 g/mol
Exact Mass392.14
IUPAC Name2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2F)ccc1CO
InChIInChI=1S/C24H21FO4/c1-2-24(27)29-13-12-28-23-15-19(8-9-20(23)16-26)21-11-10-18(14-22(21)25)17-6-4-3-5-7-17/h2-11,14-15,26H,1,12-13,16H2
InChIKeyWNNJHJZSOSFOOO-UHFFFAOYSA-N
XLogP4.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-aminopropyl)-5-[2-fluoro-4-(4-pentylphenyl)phenyl]phenoxy]ethyl prop-2-enoate
CID 134193541
2-[5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(hydroxymethyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200656
2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 139696115
6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932
[2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate
CID 134200904
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 90146916
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-[4-(3-fluoro-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 67641327
[5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 134201012

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate (CID 134200809) is 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2F)ccc1CO.
What is the InChIKey of 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is WNNJHJZSOSFOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO4/c1-2-24(27)29-13-12-28-23-15-19(8-9-20(23)16-26)21-11-10-18(14-22(21)25)17-6-4-3-5-7-17/h2-11,14-15,26H,1,12-13,16H2.
What are the key properties of 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate?
2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 392.43 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 134200809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).