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

C31H26F2O4 — CID 134201012

IUPAC[5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3F)cc2F)ccc1OCCO
InChIInChI=1S/C31H26F2O4/c1-20(2)31(35)37-19-25-16-23(10-13-30(25)36-15-14-34)26-12-9-24(18-29(26)33)27-11-8-22(17-28(27)32)21-6-4-3-5-7-21/h3-13,16-18,34H,1,14-15,19H2,2H3
InChIKeyDDAFGHBMEQHMAX-UHFFFAOYSA-N
MW500.54 g/mol
LogP6.96
Rot. Bonds9

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

[5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 134201012) has the molecular formula C31H26F2O4 and a molecular weight of 500.54 g/mol. Its IUPAC name is [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
PubChem CID134201012
Molecular FormulaC31H26F2O4
Molecular Weight500.54 g/mol
Exact Mass500.18
IUPAC Name[5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3F)cc2F)ccc1OCCO
InChIInChI=1S/C31H26F2O4/c1-20(2)31(35)37-19-25-16-23(10-13-30(25)36-15-14-34)26-12-9-24(18-29(26)33)27-11-8-22(17-28(27)32)21-6-4-3-5-7-21/h3-13,16-18,34H,1,14-15,19H2,2H3
InChIKeyDDAFGHBMEQHMAX-UHFFFAOYSA-N
XLogP6.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.54
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-hydroxyethoxy)-5-(4-phenylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200774
[5-(2-ethyl-4-phenylphenyl)-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 134200641
[5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl 2-methylprop-2-enoate
CID 145122332
[2-[4-(2-hydroxyethoxy)phenyl]-5-phenylphenyl]methyl 2-methylprop-2-enoate
CID 134200878
2-[4-(3-fluoro-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 67641327
[5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122358
[5-[2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]-2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122040
[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
3-[5-[4-(2-fluoro-4-pentylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134193418
2-[5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(hydroxymethyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200656
3-[5-(4-cyclohexyl-2-fluorophenyl)-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134200643

Frequently Asked Questions

What is the IUPAC name of [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate (CID 134201012) is [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3F)cc2F)ccc1OCCO.
What is the InChIKey of [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is DDAFGHBMEQHMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2O4/c1-20(2)31(35)37-19-25-16-23(10-13-30(25)36-15-14-34)26-12-9-24(18-29(26)33)27-11-8-22(17-28(27)32)21-6-4-3-5-7-21/h3-13,16-18,34H,1,14-15,19H2,2H3.
What are the key properties of [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate?
[5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 500.54 g/mol, XLogP of 6.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-fluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 134201012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).