2-butan-2-yl-5-methyl-4-phenyl-1H-indene

C20H22 — CID 87702536

IUPAC2-butan-2-yl-5-methyl-4-phenyl-1H-indene
SMILESCCC(C)C1=Cc2c(ccc(C)c2-c2ccccc2)C1
InChIInChI=1S/C20H22/c1-4-14(2)18-12-17-11-10-15(3)20(19(17)13-18)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3
InChIKeyAXIFIQCAQIPLMG-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.65
Rot. Bonds3

About 2-butan-2-yl-5-methyl-4-phenyl-1H-indene

2-butan-2-yl-5-methyl-4-phenyl-1H-indene (PubChem CID 87702536) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-butan-2-yl-5-methyl-4-phenyl-1H-indene.

Molecular Properties

Compound Name2-butan-2-yl-5-methyl-4-phenyl-1H-indene
PubChem CID87702536
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name2-butan-2-yl-5-methyl-4-phenyl-1H-indene
SMILESCCC(C)C1=Cc2c(ccc(C)c2-c2ccccc2)C1
InChIInChI=1S/C20H22/c1-4-14(2)18-12-17-11-10-15(3)20(19(17)13-18)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3
InChIKeyAXIFIQCAQIPLMG-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-dimethyl-4-phenyl-1H-indene
CID 173229793
2-butan-2-yl-5-ethyl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703689
[3-(2-butan-2-yl-5-propyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
CID 87702898
2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87673964
5-methyl-4-(4-phenylphenyl)-1H-indene
CID 123193916
2-pentan-2-yl-3H-cyclopenta[a]naphthalene
CID 173134374
2-(2-methylpropyl)-4-phenyl-5-propyl-1H-indene
CID 87703739
5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-indene
CID 87702540
4-(3,5-dimethylphenyl)-5-ethyl-2-propan-2-yl-1H-indene
CID 87703077
(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene
CID 156827134
4-(4-butan-2-ylphenyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563322
2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene
CID 67328501

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methyl-4-phenyl-1H-indene?
The IUPAC name of 2-butan-2-yl-5-methyl-4-phenyl-1H-indene (CID 87702536) is 2-butan-2-yl-5-methyl-4-phenyl-1H-indene.
What is the SMILES notation for 2-butan-2-yl-5-methyl-4-phenyl-1H-indene?
The canonical SMILES for 2-butan-2-yl-5-methyl-4-phenyl-1H-indene is CCC(C)C1=Cc2c(ccc(C)c2-c2ccccc2)C1.
What is the InChIKey of 2-butan-2-yl-5-methyl-4-phenyl-1H-indene?
The InChIKey is AXIFIQCAQIPLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-4-14(2)18-12-17-11-10-15(3)20(19(17)13-18)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-methyl-4-phenyl-1H-indene?
2-butan-2-yl-5-methyl-4-phenyl-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methyl-4-phenyl-1H-indene is sourced from PubChem (CID 87702536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).