[2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate

C20H14F2O3 — CID 89057008

IUPAC[2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)cc2F)cc1
InChIInChI=1S/C20H14F2O3/c1-24-17-9-4-14(5-10-17)20(23)25-19-11-6-15(12-18(19)22)13-2-7-16(21)8-3-13/h2-12H,1H3
InChIKeyABQVOEPBJVBENW-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.86
Rot. Bonds4

About [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate

[2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate (PubChem CID 89057008) has the molecular formula C20H14F2O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate
PubChem CID89057008
Molecular FormulaC20H14F2O3
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name[2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)cc2F)cc1
InChIInChI=1S/C20H14F2O3/c1-24-17-9-4-14(5-10-17)20(23)25-19-11-6-15(12-18(19)22)13-2-7-16(21)8-3-13/h2-12H,1H3
InChIKeyABQVOEPBJVBENW-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-4-(4-fluorophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 59360270
(2-bromo-4-fluorophenyl) 4-methoxybenzoate
CID 530779
[2-fluoro-4-(4-methoxyphenyl)phenyl] 2-methylprop-2-enoate;formaldehyde;2-methylprop-1-ene
CID 145389577
[3-methoxy-2-[2-methoxy-6-[4-(4-methoxyphenyl)benzoyl]oxy-4-methylphenyl]-5-methylphenyl] 4-(4-methoxyphenyl)benzoate
CID 89118190
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931
[4-(3,4-dihydroxyphenyl)phenyl] 4-methoxybenzoate
CID 122595867
[2-[3-(4-fluorophenyl)prop-2-enoyl]-4-methylphenyl] 4-methoxybenzoate
CID 3721113
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
(3-fluoro-4-octoxyphenyl) 4-(3-fluoro-4-octoxyphenyl)benzoate
CID 57211549
[4-(4-but-3-ynylphenyl)-2-fluorophenyl] 4-methylbenzoate
CID 20663280
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate?
The IUPAC name of [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate (CID 89057008) is [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate.
What is the SMILES notation for [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate?
The canonical SMILES for [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)cc2F)cc1.
What is the InChIKey of [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate?
The InChIKey is ABQVOEPBJVBENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O3/c1-24-17-9-4-14(5-10-17)20(23)25-19-11-6-15(12-18(19)22)13-2-7-16(21)8-3-13/h2-12H,1H3.
What are the key properties of [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate?
[2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate has a molecular weight of 340.33 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-fluorophenyl)phenyl] 4-methoxybenzoate is sourced from PubChem (CID 89057008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).