4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene

C14H17FO — CID 158464910

IUPAC4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene
SMILESCC1=CCc2ccc(OC(C)(C)C)c(F)c21
InChIInChI=1S/C14H17FO/c1-9-5-6-10-7-8-11(13(15)12(9)10)16-14(2,3)4/h5,7-8H,6H2,1-4H3
InChIKeyDRZJRUVMJNCATR-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.96
Rot. Bonds1

About 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene

4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene (PubChem CID 158464910) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene
PubChem CID158464910
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene
SMILESCC1=CCc2ccc(OC(C)(C)C)c(F)c21
InChIInChI=1S/C14H17FO/c1-9-5-6-10-7-8-11(13(15)12(9)10)16-14(2,3)4/h5,7-8H,6H2,1-4H3
InChIKeyDRZJRUVMJNCATR-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene?
The IUPAC name of 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene (CID 158464910) is 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene.
What is the SMILES notation for 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene?
The canonical SMILES for 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene is CC1=CCc2ccc(OC(C)(C)C)c(F)c21.
What is the InChIKey of 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene?
The InChIKey is DRZJRUVMJNCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-9-5-6-10-7-8-11(13(15)12(9)10)16-14(2,3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene?
4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene has a molecular weight of 220.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene is sourced from PubChem (CID 158464910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).