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

C24H21FO4 — CID 134200904

IUPAC[2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(OCCO)ccc1-c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C24H21FO4/c1-2-24(27)29-16-19-14-20(28-13-12-26)9-11-21(19)22-10-8-18(15-23(22)25)17-6-4-3-5-7-17/h2-11,14-15,26H,1,12-13,16H2
InChIKeyJVQJKEQDGNWLLS-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.76
Rot. Bonds8

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

[2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate (PubChem CID 134200904) has the molecular formula C24H21FO4 and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate
PubChem CID134200904
Molecular FormulaC24H21FO4
Molecular Weight392.43 g/mol
Exact Mass392.14
IUPAC Name[2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(OCCO)ccc1-c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C24H21FO4/c1-2-24(27)29-16-19-14-20(28-13-12-26)9-11-21(19)22-10-8-18(15-23(22)25)17-6-4-3-5-7-17/h2-11,14-15,26H,1,12-13,16H2
InChIKeyJVQJKEQDGNWLLS-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932
2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate
CID 134200809
[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate
CID 134200878
6-[4-[4-(4-cyanophenyl)-2-fluorophenyl]phenoxy]hexyl prop-2-enoate
CID 122665030
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
3-[6-[2-fluoro-4-(3-prop-2-enylperoxypropoxy)phenyl]naphthalen-2-yl]oxypropyl prop-2-enoate
CID 54164163
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
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
6-[6-[2-fluoro-4-(6-prop-2-enylperoxyhexoxy)phenyl]naphthalen-2-yl]oxyhexyl prop-2-enoate
CID 54012328
[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 129143052
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate?
The IUPAC name of [2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate (CID 134200904) is [2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate?
The canonical SMILES for [2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1cc(OCCO)ccc1-c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of [2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate?
The InChIKey is JVQJKEQDGNWLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO4/c1-2-24(27)29-16-19-14-20(28-13-12-26)9-11-21(19)22-10-8-18(15-23(22)25)17-6-4-3-5-7-17/h2-11,14-15,26H,1,12-13,16H2.
What are the key properties of [2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate?
[2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl 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-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 134200904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).