4-methyl-2-propan-2-yl-1H-indene

C13H16 — CID 87188537

IUPAC4-methyl-2-propan-2-yl-1H-indene
SMILESCc1cccc2c1C=C(C(C)C)C2
InChIInChI=1S/C13H16/c1-9(2)12-7-11-6-4-5-10(3)13(11)8-12/h4-6,8-9H,7H2,1-3H3
InChIKeyAVLAITAVFVCAAE-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.59
Rot. Bonds1

About 4-methyl-2-propan-2-yl-1H-indene

4-methyl-2-propan-2-yl-1H-indene (PubChem CID 87188537) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1H-indene.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1H-indene
PubChem CID87188537
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name4-methyl-2-propan-2-yl-1H-indene
SMILESCc1cccc2c1C=C(C(C)C)C2
InChIInChI=1S/C13H16/c1-9(2)12-7-11-6-4-5-10(3)13(11)8-12/h4-6,8-9H,7H2,1-3H3
InChIKeyAVLAITAVFVCAAE-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2-propan-2-yl-1H-indene
CID 87400054
2-propan-2-yl-4-prop-2-enyl-1H-indene
CID 173192900
2-propan-2-yl-1H-indene;toluene
CID 161490529
(4-methyl-1H-inden-2-yl)methanol
CID 22889025
4-(4-butan-2-ylphenyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563322
dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene
CID 174516204
dichlorozirconium;7-methyl-2-propan-2-yl-1H-indene
CID 172740435
1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane
CID 87399692
5-phenyl-4-(2-phenylphenyl)-2-propan-2-yl-1H-indene
CID 87703693
2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid
CID 105469810
methyl 4-methyl-1H-indene-2-carboxylate
CID 154531762
2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87673964

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1H-indene?
The IUPAC name of 4-methyl-2-propan-2-yl-1H-indene (CID 87188537) is 4-methyl-2-propan-2-yl-1H-indene.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1H-indene?
The canonical SMILES for 4-methyl-2-propan-2-yl-1H-indene is Cc1cccc2c1C=C(C(C)C)C2.
What is the InChIKey of 4-methyl-2-propan-2-yl-1H-indene?
The InChIKey is AVLAITAVFVCAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-9(2)12-7-11-6-4-5-10(3)13(11)8-12/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-1H-indene?
4-methyl-2-propan-2-yl-1H-indene has a molecular weight of 172.27 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-1H-indene is sourced from PubChem (CID 87188537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).