[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium

C21H14F4O3V — CID 157190670

IUPAC[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium
SMILESCOc1ccc(Oc2ccc(C(=O)c3c(F)c(F)c(C)c(F)c3F)cc2)cc1.[V]
InChIInChI=1S/C21H14F4O3.V/c1-11-17(22)19(24)16(20(25)18(11)23)21(26)12-3-5-14(6-4-12)28-15-9-7-13(27-2)8-10-15;/h3-10H,1-2H3;
InChIKeyAPQVRHJAHYAYCB-UHFFFAOYSA-N
MW441.28 g/mol
LogP5.58
Rot. Bonds5

About [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium

[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium (PubChem CID 157190670) has the molecular formula C21H14F4O3V and a molecular weight of 441.28 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium
PubChem CID157190670
Molecular FormulaC21H14F4O3V
Molecular Weight441.28 g/mol
Exact Mass441.03
IUPAC Name[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium
SMILESCOc1ccc(Oc2ccc(C(=O)c3c(F)c(F)c(C)c(F)c3F)cc2)cc1.[V]
InChIInChI=1S/C21H14F4O3.V/c1-11-17(22)19(24)16(20(25)18(11)23)21(26)12-3-5-14(6-4-12)28-15-9-7-13(27-2)8-10-15;/h3-10H,1-2H3;
InChIKeyAPQVRHJAHYAYCB-UHFFFAOYSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.28
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone
CID 58690167
(3-ethyl-2,5,6-trifluoro-4-methylphenyl)-[4-[4-(2,3,4,5,6-pentafluorobenzoyl)phenoxy]phenyl]methanone
CID 126634452
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
[4-[4-(4-methoxyphenyl)phenoxy]-3-methylphenyl]-[4-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]methanone
CID 58185833
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
benzene-1,4-diol;bis(4-fluorophenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone
CID 158296808
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite
CID 118689697
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium?
The IUPAC name of [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium (CID 157190670) is [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium.
What is the SMILES notation for [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium?
The canonical SMILES for [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium is COc1ccc(Oc2ccc(C(=O)c3c(F)c(F)c(C)c(F)c3F)cc2)cc1.[V].
What is the InChIKey of [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium?
The InChIKey is APQVRHJAHYAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4O3.V/c1-11-17(22)19(24)16(20(25)18(11)23)21(26)12-3-5-14(6-4-12)28-15-9-7-13(27-2)8-10-15;/h3-10H,1-2H3;.
What are the key properties of [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium?
[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium has a molecular weight of 441.28 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium is sourced from PubChem (CID 157190670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).