2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene

C18H21FO — CID 176729624

IUPAC2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
SMILESCOc1ccc(-c2ccc(F)c(C)c2)cc1C(C)(C)C
InChIInChI=1S/C18H21FO/c1-12-10-13(6-8-16(12)19)14-7-9-17(20-5)15(11-14)18(2,3)4/h6-11H,1-5H3
InChIKeyDAEAGOBJGDYKBR-UHFFFAOYSA-N
MW272.36 g/mol
LogP5.11
Rot. Bonds2

About 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene

2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene (PubChem CID 176729624) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
PubChem CID176729624
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
SMILESCOc1ccc(-c2ccc(F)c(C)c2)cc1C(C)(C)C
InChIInChI=1S/C18H21FO/c1-12-10-13(6-8-16(12)19)14-7-9-17(20-5)15(11-14)18(2,3)4/h6-11H,1-5H3
InChIKeyDAEAGOBJGDYKBR-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.36
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-3-methylphenyl)-2-methoxyphenol
CID 53220783
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
CID 53219174
ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane
CID 144795671
4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole
CID 82128672
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
CID 170985844
5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 82479864

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene?
The IUPAC name of 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene (CID 176729624) is 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene.
What is the SMILES notation for 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene?
The canonical SMILES for 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene is COc1ccc(-c2ccc(F)c(C)c2)cc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene?
The InChIKey is DAEAGOBJGDYKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-12-10-13(6-8-16(12)19)14-7-9-17(20-5)15(11-14)18(2,3)4/h6-11H,1-5H3.
What are the key properties of 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene?
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene has a molecular weight of 272.36 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene is sourced from PubChem (CID 176729624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).