4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate

C34H32F2O4 — CID 15463144

IUPAC4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)OCCCCOC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C34H32F2O4/c1-23(27-15-17-29(31(35)21-27)25-11-5-3-6-12-25)33(37)39-19-9-10-20-40-34(38)24(2)28-16-18-30(32(36)22-28)26-13-7-4-8-14-26/h3-8,11-18,21-24H,9-10,19-20H2,1-2H3
InChIKeyOKDPVHNKDFNCPW-UHFFFAOYSA-N
MW542.62 g/mol
LogP8.07
Rot. Bonds11

About 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate

4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 15463144) has the molecular formula C34H32F2O4 and a molecular weight of 542.62 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID15463144
Molecular FormulaC34H32F2O4
Molecular Weight542.62 g/mol
Exact Mass542.23
IUPAC Name4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)OCCCCOC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C34H32F2O4/c1-23(27-15-17-29(31(35)21-27)25-11-5-3-6-12-25)33(37)39-19-9-10-20-40-34(38)24(2)28-16-18-30(32(36)22-28)26-13-7-4-8-14-26/h3-8,11-18,21-24H,9-10,19-20H2,1-2H3
InChIKeyOKDPVHNKDFNCPW-UHFFFAOYSA-N
XLogP8.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.62
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate 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

Flurbiprofen Axetil
CID 3395
4-Biphenylylacetic acid ethyl ester
CID 26436
Nitroflurbiprofen
CID 119387
Flurbiprofen Methyl Ester
CID 4127
Fluenetil
CID 20288
methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate
CID 446134
(1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-, (acetyloxy)methyl ester
CID 3021833
tert-butyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 135341853
[3-Methoxy-2-[4-(4-phenylphenyl)butanoyloxy]propyl] 4-(4-phenylphenyl)butanoate
CID 71451761
ethyl 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetate
CID 70682309
3-(Trifluoromethylselanyl)propyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 164627763
5-[2-[4-(2-Methylpropyl)phenyl]propanoyloxy]pentyl-triphenylphosphanium
CID 168268855

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate (CID 15463144) is 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate is CC(C(=O)OCCCCOC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is OKDPVHNKDFNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2O4/c1-23(27-15-17-29(31(35)21-27)25-11-5-3-6-12-25)33(37)39-19-9-10-20-40-34(38)24(2)28-16-18-30(32(36)22-28)26-13-7-4-8-14-26/h3-8,11-18,21-24H,9-10,19-20H2,1-2H3.
What are the key properties of 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate?
4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 542.62 g/mol, XLogP of 8.07, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]butyl 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 15463144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).