[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate

C24H21FO5 — CID 55684573

IUPAC[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate
SMILESCOc1cccc(COC(C)C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C24H21FO5/c1-16(29-15-17-4-3-5-22(14-17)28-2)24(27)30-21-12-8-19(9-13-21)23(26)18-6-10-20(25)11-7-18/h3-14,16H,15H2,1-2H3
InChIKeyIDPSPYQGQYRFSG-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.58
Rot. Bonds8

About [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate

[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate (PubChem CID 55684573) has the molecular formula C24H21FO5 and a molecular weight of 408.43 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate
PubChem CID55684573
Molecular FormulaC24H21FO5
Molecular Weight408.43 g/mol
Exact Mass408.14
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate
SMILESCOc1cccc(COC(C)C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C24H21FO5/c1-16(29-15-17-4-3-5-22(14-17)28-2)24(27)30-21-12-8-19(9-13-21)23(26)18-6-10-20(25)11-7-18/h3-14,16H,15H2,1-2H3
InChIKeyIDPSPYQGQYRFSG-UHFFFAOYSA-N
XLogP4.58
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
phenyl 2-phenylmethoxypropanoate
CID 15731819
[4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate
CID 60546100
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686840
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
(4-chlorophenyl) 2-[[3-(trifluoromethyl)phenyl]methoxy]propanoate
CID 57099089
2-fluoro-2-[(3-methoxyphenyl)methoxy]acetic acid
CID 79356369
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
3-[(3-methoxyphenyl)methoxy]butanoic acid
CID 43536105
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate (CID 55684573) is [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate is COc1cccc(COC(C)C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate?
The InChIKey is IDPSPYQGQYRFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO5/c1-16(29-15-17-4-3-5-22(14-17)28-2)24(27)30-21-12-8-19(9-13-21)23(26)18-6-10-20(25)11-7-18/h3-14,16H,15H2,1-2H3.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate?
[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate has a molecular weight of 408.43 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate is sourced from PubChem (CID 55684573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).