1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene

C11H15FO — CID 58073941

IUPAC1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCc1cccc(F)c1OC(C)(C)C
InChIInChI=1S/C11H15FO/c1-8-6-5-7-9(12)10(8)13-11(2,3)4/h5-7H,1-4H3
InChIKeyLTXNNFWBWUFJJQ-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.31
Rot. Bonds1

About 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene

1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 58073941) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID58073941
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCc1cccc(F)c1OC(C)(C)C
InChIInChI=1S/C11H15FO/c1-8-6-5-7-9(12)10(8)13-11(2,3)4/h5-7H,1-4H3
InChIKeyLTXNNFWBWUFJJQ-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene (CID 58073941) is 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene is Cc1cccc(F)c1OC(C)(C)C.
What is the InChIKey of 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is LTXNNFWBWUFJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8-6-5-7-9(12)10(8)13-11(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 182.24 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 58073941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).