1,4,5-trimethyl-1H-indene

C12H14 — CID 58813834

IUPAC1,4,5-trimethyl-1H-indene
SMILESCc1ccc2c(c1C)C=CC2C
InChIInChI=1S/C12H14/c1-8-4-6-11-9(2)5-7-12(11)10(8)3/h4-7,9H,1-3H3
InChIKeyCYOWIFMPHXDOHC-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.43
Rot. Bonds

About 1,4,5-trimethyl-1H-indene

1,4,5-trimethyl-1H-indene (PubChem CID 58813834) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,4,5-trimethyl-1H-indene.

Molecular Properties

Compound Name1,4,5-trimethyl-1H-indene
PubChem CID58813834
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1,4,5-trimethyl-1H-indene
SMILESCc1ccc2c(c1C)C=CC2C
InChIInChI=1S/C12H14/c1-8-4-6-11-9(2)5-7-12(11)10(8)3/h4-7,9H,1-3H3
InChIKeyCYOWIFMPHXDOHC-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-1-methyl-1H-indene
CID 141174083
(1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene
CID 18720350
lithium;1,5-dimethyl-1H-indene;hydride
CID 175183172
dichlorozirconium;7-[(3,7-dimethyl-3H-inden-4-yl)methyl]-1,4-dimethyl-1H-indene
CID 87978672
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
4,7,8-trimethyl-3,4-dihydroquinoline
CID 138625490
3,4,10-trimethyl-3,10-dihydrocyclopenta[a]fluorene
CID 160928129
1-(4-methyl-1H-inden-1-yl)ethanone
CID 58705072
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
2-iodo-1,3,4,5-tetramethyl-1H-indene
CID 174753925
1,4-dimethyl-1,4-dihydronaphthalene
CID 13283200
1,5-dimethyl-1,4-dihydronaphthalene
CID 147111111

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-1H-indene?
The IUPAC name of 1,4,5-trimethyl-1H-indene (CID 58813834) is 1,4,5-trimethyl-1H-indene.
What is the SMILES notation for 1,4,5-trimethyl-1H-indene?
The canonical SMILES for 1,4,5-trimethyl-1H-indene is Cc1ccc2c(c1C)C=CC2C.
What is the InChIKey of 1,4,5-trimethyl-1H-indene?
The InChIKey is CYOWIFMPHXDOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-8-4-6-11-9(2)5-7-12(11)10(8)3/h4-7,9H,1-3H3.
What are the key properties of 1,4,5-trimethyl-1H-indene?
1,4,5-trimethyl-1H-indene has a molecular weight of 158.24 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-1H-indene is sourced from PubChem (CID 58813834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).