1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene

C20H16F2O — CID 121356402

IUPAC1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
SMILESCOc1ccc(-c2cc(F)c(-c3ccc(C)cc3)c(F)c2)cc1
InChIInChI=1S/C20H16F2O/c1-13-3-5-15(6-4-13)20-18(21)11-16(12-19(20)22)14-7-9-17(23-2)10-8-14/h3-12H,1-2H3
InChIKeyMODVOIUCIGXZQQ-UHFFFAOYSA-N
MW310.34 g/mol
LogP5.62
Rot. Bonds3

About 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene

1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene (PubChem CID 121356402) has the molecular formula C20H16F2O and a molecular weight of 310.34 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
PubChem CID121356402
Molecular FormulaC20H16F2O
Molecular Weight310.34 g/mol
Exact Mass310.12
IUPAC Name1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
SMILESCOc1ccc(-c2cc(F)c(-c3ccc(C)cc3)c(F)c2)cc1
InChIInChI=1S/C20H16F2O/c1-13-3-5-15(6-4-13)20-18(21)11-16(12-19(20)22)14-7-9-17(23-2)10-8-14/h3-12H,1-2H3
InChIKeyMODVOIUCIGXZQQ-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.34
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-(113C)methoxy-4-methylbenzene
CID 166176950
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
CID 87458156
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 101257502

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene?
The IUPAC name of 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene (CID 121356402) is 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene is COc1ccc(-c2cc(F)c(-c3ccc(C)cc3)c(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene?
The InChIKey is MODVOIUCIGXZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O/c1-13-3-5-15(6-4-13)20-18(21)11-16(12-19(20)22)14-7-9-17(23-2)10-8-14/h3-12H,1-2H3.
What are the key properties of 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene?
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene has a molecular weight of 310.34 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene is sourced from PubChem (CID 121356402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).