2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene

C22H28 — CID 143571508

IUPAC2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene
SMILESCCCCC(C)c1ccccc1C1=CC2=CCCC=C2C1C
InChIInChI=1S/C22H28/c1-4-5-10-16(2)19-12-8-9-14-21(19)22-15-18-11-6-7-13-20(18)17(22)3/h8-9,11-17H,4-7,10H2,1-3H3
InChIKeyWIWLKTFTILXGIF-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.66
Rot. Bonds5

About 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene

2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene (PubChem CID 143571508) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene.

Molecular Properties

Compound Name2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene
PubChem CID143571508
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene
SMILESCCCCC(C)c1ccccc1C1=CC2=CCCC=C2C1C
InChIInChI=1S/C22H28/c1-4-5-10-16(2)19-12-8-9-14-21(19)22-15-18-11-6-7-13-20(18)17(22)3/h8-9,11-17H,4-7,10H2,1-3H3
InChIKeyWIWLKTFTILXGIF-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 86190056
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tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
CID 154932101
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
3-hexan-2-yl-1H-pyridin-2-one
CID 146209312
2-(2-heptan-3-ylphenyl)phenol
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sodium 2-dodecan-2-ylbenzenesulfonate
CID 23700934

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene?
The IUPAC name of 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene (CID 143571508) is 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene.
What is the SMILES notation for 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene?
The canonical SMILES for 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene is CCCCC(C)c1ccccc1C1=CC2=CCCC=C2C1C.
What is the InChIKey of 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene?
The InChIKey is WIWLKTFTILXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-4-5-10-16(2)19-12-8-9-14-21(19)22-15-18-11-6-7-13-20(18)17(22)3/h8-9,11-17H,4-7,10H2,1-3H3.
What are the key properties of 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene?
2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene has a molecular weight of 292.47 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexan-2-ylphenyl)-1-methyl-5,6-dihydro-1H-indene is sourced from PubChem (CID 143571508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).