1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene

C20H25FO — CID 158608160

IUPAC1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1C(C)C
InChIInChI=1S/C20H25FO/c1-12(2)16-9-14(5)7-8-15(16)18-10-17(13(3)4)19(21)11-20(18)22-6/h7-13H,1-6H3
InChIKeyHWMMONVKCXSDME-UHFFFAOYSA-N
MW300.42 g/mol
LogP6.06
Rot. Bonds4

About 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene

1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene (PubChem CID 158608160) has the molecular formula C20H25FO and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
PubChem CID158608160
Molecular FormulaC20H25FO
Molecular Weight300.42 g/mol
Exact Mass300.19
IUPAC Name1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1C(C)C
InChIInChI=1S/C20H25FO/c1-12(2)16-9-14(5)7-8-15(16)18-10-17(13(3)4)19(21)11-20(18)22-6/h7-13H,1-6H3
InChIKeyHWMMONVKCXSDME-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole
CID 122534309
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene
CID 122534307
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
ethane;5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1H-indene
CID 143505651
1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59435901
ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine
CID 143505536
1-[bromo-(2,5-dimethylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447999
2,4-dimethyl-1-(4-methyl-2-propan-2-ylphenyl)benzene
CID 18730157
[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol
CID 59287355
1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
(4S,5R)-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 90148854

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene (CID 158608160) is 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene is COc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1C(C)C.
What is the InChIKey of 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene?
The InChIKey is HWMMONVKCXSDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO/c1-12(2)16-9-14(5)7-8-15(16)18-10-17(13(3)4)19(21)11-20(18)22-6/h7-13H,1-6H3.
What are the key properties of 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene?
1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene has a molecular weight of 300.42 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 158608160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).