1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene

C32H28F6O2 — CID 89142850

IUPAC1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene
SMILESCOc1c(C)c(-c2cc(F)c(F)c(F)c2)c(C)c(-c2c(C)c(OC)c(C)c(-c3cc(F)c(F)c(F)c3)c2C)c1C
InChIInChI=1S/C32H28F6O2/c1-13-25(19-9-21(33)29(37)22(34)10-19)15(3)31(39-7)17(5)27(13)28-14(2)26(16(4)32(40-8)18(28)6)20-11-23(35)30(38)24(36)12-20/h9-12H,1-8H3
InChIKeyTWUUSLMZQDXKDE-UHFFFAOYSA-N
MW558.56 g/mol
LogP9.39
Rot. Bonds5

About 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene

1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene (PubChem CID 89142850) has the molecular formula C32H28F6O2 and a molecular weight of 558.56 g/mol. Its IUPAC name is 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene
PubChem CID89142850
Molecular FormulaC32H28F6O2
Molecular Weight558.56 g/mol
Exact Mass558.20
IUPAC Name1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene
SMILESCOc1c(C)c(-c2cc(F)c(F)c(F)c2)c(C)c(-c2c(C)c(OC)c(C)c(-c3cc(F)c(F)c(F)c3)c2C)c1C
InChIInChI=1S/C32H28F6O2/c1-13-25(19-9-21(33)29(37)22(34)10-19)15(3)31(39-7)17(5)27(13)28-14(2)26(16(4)32(40-8)18(28)6)20-11-23(35)30(38)24(36)12-20/h9-12H,1-8H3
InChIKeyTWUUSLMZQDXKDE-UHFFFAOYSA-N
XLogP9.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.56
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene with MolForge

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Related Compounds

ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616
1-fluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(3,4,5-trifluorophenyl)anthracene
CID 87428610
1,2,3,9,10,11-hexamethoxy-6,6-dioctadecyl-4,8-bis(3,4,5-trifluorophenyl)-5,7-dihydrobenzo[d][2]benzazepin-6-ium
CID 15982995
CID 87822920
CID 87822920
1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene
CID 87425986
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 102261730
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501596
(2,3,4,6-tetrafluoro-5-methoxyphenyl)-bis(3,4,6-trifluoro-2-methylphenyl)alumane
CID 177045792
CID 87823918
CID 87823918

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene?
The IUPAC name of 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene (CID 89142850) is 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene.
What is the SMILES notation for 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene?
The canonical SMILES for 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene is COc1c(C)c(-c2cc(F)c(F)c(F)c2)c(C)c(-c2c(C)c(OC)c(C)c(-c3cc(F)c(F)c(F)c3)c2C)c1C.
What is the InChIKey of 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene?
The InChIKey is TWUUSLMZQDXKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F6O2/c1-13-25(19-9-21(33)29(37)22(34)10-19)15(3)31(39-7)17(5)27(13)28-14(2)26(16(4)32(40-8)18(28)6)20-11-23(35)30(38)24(36)12-20/h9-12H,1-8H3.
What are the key properties of 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene?
1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene has a molecular weight of 558.56 g/mol, XLogP of 9.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene is sourced from PubChem (CID 89142850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).