(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone

C27H14F8O3 — CID 58690167

IUPAC(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)cc1
InChIInChI=1S/C27H14F8O3/c1-11-18(28)20(30)16(21(31)19(11)29)17-22(32)24(34)27(25(35)23(17)33)38-15-9-5-13(6-10-15)26(36)12-3-7-14(37-2)8-4-12/h3-10H,1-2H3
InChIKeyQYVLNFUBMORZDK-UHFFFAOYSA-N
MW538.39 g/mol
LogP7.81
Rot. Bonds6

About (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone

(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone (PubChem CID 58690167) has the molecular formula C27H14F8O3 and a molecular weight of 538.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone
PubChem CID58690167
Molecular FormulaC27H14F8O3
Molecular Weight538.39 g/mol
Exact Mass538.08
IUPAC Name(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)cc1
InChIInChI=1S/C27H14F8O3/c1-11-18(28)20(30)16(21(31)19(11)29)17-22(32)24(34)27(25(35)23(17)33)38-15-9-5-13(6-10-15)26(36)12-3-7-14(37-2)8-4-12/h3-10H,1-2H3
InChIKeyQYVLNFUBMORZDK-UHFFFAOYSA-N
XLogP7.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.39
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone with MolForge

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Related Compounds

[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium
CID 157190670
[4-[4-(4-methoxyphenyl)phenoxy]-3-methylphenyl]-[4-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]methanone
CID 58185833
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
4-[3-[4-(4-carboxyphenoxy)-2,3,5,6-tetrafluorophenyl]-2,4,5,6-tetrafluorophenoxy]benzoic acid
CID 139971372
sodium [4-[4-(4-methoxyphenyl)phenoxy]-3-methylphenyl]-[4-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]benzene-5-id-1-yl]methanone
CID 58185832
4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
CID 144813856
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
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
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
CID 178069232

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone (CID 58690167) is (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone is COc1ccc(C(=O)c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone?
The InChIKey is QYVLNFUBMORZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F8O3/c1-11-18(28)20(30)16(21(31)19(11)29)17-22(32)24(34)27(25(35)23(17)33)38-15-9-5-13(6-10-15)26(36)12-3-7-14(37-2)8-4-12/h3-10H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone?
(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone has a molecular weight of 538.39 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone is sourced from PubChem (CID 58690167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).