3-tert-butyl-7-methyl-1H-indene

C14H18 — CID 159200998

IUPAC3-tert-butyl-7-methyl-1H-indene
SMILESCc1cccc2c1CC=C2C(C)(C)C
InChIInChI=1S/C14H18/c1-10-6-5-7-12-11(10)8-9-13(12)14(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyMRQIMHOROSLXIW-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.98
Rot. Bonds

About 3-tert-butyl-7-methyl-1H-indene

3-tert-butyl-7-methyl-1H-indene (PubChem CID 159200998) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-tert-butyl-7-methyl-1H-indene.

Molecular Properties

Compound Name3-tert-butyl-7-methyl-1H-indene
PubChem CID159200998
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name3-tert-butyl-7-methyl-1H-indene
SMILESCc1cccc2c1CC=C2C(C)(C)C
InChIInChI=1S/C14H18/c1-10-6-5-7-12-11(10)8-9-13(12)14(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyMRQIMHOROSLXIW-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
CID 105488183
3,5-ditert-butyl-1H-indene
CID 20675508
1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057879
2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline
CID 148529196
(3S)-3-(methylamino)-4-(4-methyl-3H-inden-1-yl)butan-2-one
CID 163952555
4-methyl-3H-indene-1,2-dione
CID 561993
3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene
CID 123849825
1,2-ditert-butyl-3-methylbenzene;bis(2,2-dimethylpropane)
CID 161097372
[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol
CID 159141056
3-methoxy-2,7-dimethyl-1H-indene
CID 23625905
4,5,6-trimethylbenzo[b][1]benzoborole
CID 169309234

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-methyl-1H-indene?
The IUPAC name of 3-tert-butyl-7-methyl-1H-indene (CID 159200998) is 3-tert-butyl-7-methyl-1H-indene.
What is the SMILES notation for 3-tert-butyl-7-methyl-1H-indene?
The canonical SMILES for 3-tert-butyl-7-methyl-1H-indene is Cc1cccc2c1CC=C2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-7-methyl-1H-indene?
The InChIKey is MRQIMHOROSLXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10-6-5-7-12-11(10)8-9-13(12)14(2,3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 3-tert-butyl-7-methyl-1H-indene?
3-tert-butyl-7-methyl-1H-indene has a molecular weight of 186.30 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-methyl-1H-indene is sourced from PubChem (CID 159200998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).