5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene

C26H27FO2 — CID 23313956

IUPAC5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C26H27FO2/c1-26(2,22-13-12-20-7-6-8-21(20)16-22)18-28-17-19-11-14-24(27)25(15-19)29-23-9-4-3-5-10-23/h3-5,9-16H,6-8,17-18H2,1-2H3
InChIKeyJWTPTCUWMMAROC-UHFFFAOYSA-N
MW390.50 g/mol
LogP6.60
Rot. Bonds7

About 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene

5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene (PubChem CID 23313956) has the molecular formula C26H27FO2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene
PubChem CID23313956
Molecular FormulaC26H27FO2
Molecular Weight390.50 g/mol
Exact Mass390.20
IUPAC Name5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C26H27FO2/c1-26(2,22-13-12-20-7-6-8-21(20)16-22)18-28-17-19-11-14-24(27)25(15-19)29-23-9-4-3-5-10-23/h3-5,9-16H,6-8,17-18H2,1-2H3
InChIKeyJWTPTCUWMMAROC-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene (CID 23313956) is 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene is CC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene?
The InChIKey is JWTPTCUWMMAROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FO2/c1-26(2,22-13-12-20-7-6-8-21(20)16-22)18-28-17-19-11-14-24(27)25(15-19)29-23-9-4-3-5-10-23/h3-5,9-16H,6-8,17-18H2,1-2H3.
What are the key properties of 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene?
5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene has a molecular weight of 390.50 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 23313956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).