1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)

C160H170F10O — CID 159688395

IUPAC1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)
SMILESCOc1ccc(-c2ccc(C)c(F)c2)c(C)c1C.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1
InChIInChI=1S/C16H17FO.9C16H17F/c1-10-5-6-13(9-15(10)17)14-7-8-16(18-4)12(3)11(14)2;9*1-10-5-7-15(16(17)9-10)14-8-6-11(2)12(3)13(14)4/h5-9H,1-4H3;9*5-9H,1-4H3
InChIKeyMWCCLTRBQSFZIJ-UHFFFAOYSA-N
MW2299.10 g/mol
LogP46.96
Rot. Bonds11

About 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)

1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene) (PubChem CID 159688395) has the molecular formula C160H170F10O and a molecular weight of 2299.10 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene).

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)
PubChem CID159688395
Molecular FormulaC160H170F10O
Molecular Weight2299.10 g/mol
Exact Mass2297.31
IUPAC Name1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)
SMILESCOc1ccc(-c2ccc(C)c(F)c2)c(C)c1C.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1
InChIInChI=1S/C16H17FO.9C16H17F/c1-10-5-6-13(9-15(10)17)14-7-8-16(18-4)12(3)11(14)2;9*1-10-5-7-15(16(17)9-10)14-8-6-11(2)12(3)13(14)4/h5-9H,1-4H3;9*5-9H,1-4H3
InChIKeyMWCCLTRBQSFZIJ-UHFFFAOYSA-N
XLogP46.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002299.10
LogP ≤ 546.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
CID 118188502
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501596
2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane
CID 142330852
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
2-fluoro-1-[4-[2-(3-fluoro-4-methylphenyl)ethynyl]phenyl]-4-methylbenzene
CID 20683303
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene) (CID 159688395) is 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene).
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene) is COc1ccc(-c2ccc(C)c(F)c2)c(C)c1C.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.Cc1ccc(-c2ccc(C)c(C)c2C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)?
The InChIKey is MWCCLTRBQSFZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO.9C16H17F/c1-10-5-6-13(9-15(10)17)14-7-8-16(18-4)12(3)11(14)2;9*1-10-5-7-15(16(17)9-10)14-8-6-11(2)12(3)13(14)4/h5-9H,1-4H3;9*5-9H,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)?
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene) has a molecular weight of 2299.10 g/mol, XLogP of 46.96, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene) is sourced from PubChem (CID 159688395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).