1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene

C13H19FO — CID 59409851

IUPAC1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
SMILESCOc1cc(F)c(C(C)C)cc1C(C)C
InChIInChI=1S/C13H19FO/c1-8(2)10-6-11(9(3)4)13(15-5)7-12(10)14/h6-9H,1-5H3
InChIKeyFXGKJPQFJLMSKI-UHFFFAOYSA-N
MW210.29 g/mol
LogP4.08
Rot. Bonds3

About 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene

1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene (PubChem CID 59409851) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
PubChem CID59409851
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
SMILESCOc1cc(F)c(C(C)C)cc1C(C)C
InChIInChI=1S/C13H19FO/c1-8(2)10-6-11(9(3)4)13(15-5)7-12(10)14/h6-9H,1-5H3
InChIKeyFXGKJPQFJLMSKI-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 158608160
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(4-ethylphenyl)-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59435901
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117418048
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
CID 167009841
1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene
CID 176665151
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
1-(2-fluoro-4-methoxy-5-methylphenyl)ethanol
CID 84659572

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene?
The IUPAC name of 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene (CID 59409851) is 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene.
What is the SMILES notation for 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene?
The canonical SMILES for 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene is COc1cc(F)c(C(C)C)cc1C(C)C.
What is the InChIKey of 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene?
The InChIKey is FXGKJPQFJLMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-8(2)10-6-11(9(3)4)13(15-5)7-12(10)14/h6-9H,1-5H3.
What are the key properties of 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene?
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene has a molecular weight of 210.29 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene is sourced from PubChem (CID 59409851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).