[2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate

C33H25FO4 — CID 20586864

IUPAC[2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate
SMILESO=C(Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H25FO4/c34-31-21-28(26-11-16-29(17-12-26)36-22-24-7-3-1-4-8-24)15-20-32(31)38-33(35)27-13-18-30(19-14-27)37-23-25-9-5-2-6-10-25/h1-21H,22-23H2
InChIKeyUSGQYXYEAJROMG-UHFFFAOYSA-N
MW504.56 g/mol
LogP7.87
Rot. Bonds9

About [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate

[2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate (PubChem CID 20586864) has the molecular formula C33H25FO4 and a molecular weight of 504.56 g/mol. Its IUPAC name is [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate
PubChem CID20586864
Molecular FormulaC33H25FO4
Molecular Weight504.56 g/mol
Exact Mass504.17
IUPAC Name[2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate
SMILESO=C(Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H25FO4/c34-31-21-28(26-11-16-29(17-12-26)36-22-24-7-3-1-4-8-24)15-20-32(31)38-33(35)27-13-18-30(19-14-27)37-23-25-9-5-2-6-10-25/h1-21H,22-23H2
InChIKeyUSGQYXYEAJROMG-UHFFFAOYSA-N
XLogP7.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate 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

Dibenzylfluorescein
CID 371436
Ethyl 4-(phenylmethoxy)benzoate
CID 191414
Benzoic acid biphenyl-4-yl ester
CID 231743
4-[4-Benzyloxy)benzoyl]benzoic acid
CID 11616925
Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate
CID 77875
Ethyl 4-(2-phenoxyethoxy)benzoate
CID 4778955
4-Benzyloxybenzophenone
CID 458193
1,10-Bis(4-carboxyphenoxy)decane
CID 400760
Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester
CID 91863
(4-(4-Benzoyl-phenoxy)-phenyl)-phenyl-methanone
CID 249659
1,2-Benzenedicarboxylic acid, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis-
CID 117748
Pentylphenyl methoxybenzoate
CID 94486

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate (CID 20586864) is [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate is O=C(Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate?
The InChIKey is USGQYXYEAJROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25FO4/c34-31-21-28(26-11-16-29(17-12-26)36-22-24-7-3-1-4-8-24)15-20-32(31)38-33(35)27-13-18-30(19-14-27)37-23-25-9-5-2-6-10-25/h1-21H,22-23H2.
What are the key properties of [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate?
[2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate has a molecular weight of 504.56 g/mol, XLogP of 7.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-phenylmethoxyphenyl)phenyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 20586864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).