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

C27H29FO — CID 21269885

IUPAC5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene
SMILESCC(C)(CCCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C27H29FO/c1-27(2,23-15-14-21-9-6-10-22(21)19-23)17-7-8-20-13-16-25(28)26(18-20)29-24-11-4-3-5-12-24/h3-5,11-16,18-19H,6-10,17H2,1-2H3
InChIKeyZPABHCVLBJGHGH-UHFFFAOYSA-N
MW388.53 g/mol
LogP7.41
Rot. Bonds7

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

5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene (PubChem CID 21269885) has the molecular formula C27H29FO and a molecular weight of 388.53 g/mol. Its IUPAC name is 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene
PubChem CID21269885
Molecular FormulaC27H29FO
Molecular Weight388.53 g/mol
Exact Mass388.22
IUPAC Name5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene
SMILESCC(C)(CCCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C27H29FO/c1-27(2,23-15-14-21-9-6-10-22(21)19-23)17-7-8-20-13-16-25(28)26(18-20)29-24-11-4-3-5-12-24/h3-5,11-16,18-19H,6-10,17H2,1-2H3
InChIKeyZPABHCVLBJGHGH-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene (CID 21269885) is 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene is CC(C)(CCCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene?
The InChIKey is ZPABHCVLBJGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FO/c1-27(2,23-15-14-21-9-6-10-22(21)19-23)17-7-8-20-13-16-25(28)26(18-20)29-24-11-4-3-5-12-24/h3-5,11-16,18-19H,6-10,17H2,1-2H3.
What are the key properties of 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene?
5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene has a molecular weight of 388.53 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 21269885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).