1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene

C16H12F6O — CID 162548604

IUPAC1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene
SMILESCOc1ccc(-c2ccc(C)cc2)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C16H12F6O/c1-9-3-5-10(6-4-9)11-7-8-12(23-2)14(16(20,21)22)13(11)15(17,18)19/h3-8H,1-2H3
InChIKeyZDJOZMHDDAIEOX-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.71
Rot. Bonds2

About 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene

1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene (PubChem CID 162548604) has the molecular formula C16H12F6O and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene
PubChem CID162548604
Molecular FormulaC16H12F6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene
SMILESCOc1ccc(-c2ccc(C)cc2)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C16H12F6O/c1-9-3-5-10(6-4-9)11-7-8-12(23-2)14(16(20,21)22)13(11)15(17,18)19/h3-8H,1-2H3
InChIKeyZDJOZMHDDAIEOX-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]-2,3-bis(trifluoromethyl)benzene
CID 154519551
4-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenyl]bicyclo[5.1.0]octane
CID 162548603
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
CID 131481982
[4-[4-(4-methylphenyl)-2,3-bis(trifluoromethyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118147467
7-methoxy-4-methyl-8-(trifluoromethyl)-1,2-dihydronaphthalene
CID 162565450
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
3,3-difluoro-3-[3-methoxy-4-(4-methylphenyl)phenyl]propanal
CID 142387203
2-(4-bromophenyl)-1-methoxy-4-methylbenzene
CID 83665556
1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene
CID 135223795
1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
CID 155471458
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene (CID 162548604) is 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene is COc1ccc(-c2ccc(C)cc2)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene?
The InChIKey is ZDJOZMHDDAIEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O/c1-9-3-5-10(6-4-9)11-7-8-12(23-2)14(16(20,21)22)13(11)15(17,18)19/h3-8H,1-2H3.
What are the key properties of 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene?
1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene has a molecular weight of 334.26 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 162548604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).