4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene

C11H15FO2 — CID 53484257

IUPAC4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCOc1ccc(F)cc1OC(C)(C)C
InChIInChI=1S/C11H15FO2/c1-11(2,3)14-10-7-8(12)5-6-9(10)13-4/h5-7H,1-4H3
InChIKeyNKIKRHGIYGFQGD-UHFFFAOYSA-N
MW198.24 g/mol
LogP3.01
Rot. Bonds2

About 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene

4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 53484257) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID53484257
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCOc1ccc(F)cc1OC(C)(C)C
InChIInChI=1S/C11H15FO2/c1-11(2,3)14-10-7-8(12)5-6-9(10)13-4/h5-7H,1-4H3
InChIKeyNKIKRHGIYGFQGD-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene
CID 101467707
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
CID 71757600
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
(5-fluoro-2-methoxyphenyl)phosphane
CID 158974497
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
(5-fluoro-2-methoxyphenyl)borane
CID 3475822
4-fluoro-2-methoxybenzenethiol
CID 22139691
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene (CID 53484257) is 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene is COc1ccc(F)cc1OC(C)(C)C.
What is the InChIKey of 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is NKIKRHGIYGFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-11(2,3)14-10-7-8(12)5-6-9(10)13-4/h5-7H,1-4H3.
What are the key properties of 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene?
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 198.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 53484257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).