3-(2,4,5-trimethylphenyl)-1H-indene

C18H18 — CID 90235042

IUPAC3-(2,4,5-trimethylphenyl)-1H-indene
SMILESCc1cc(C)c(C2=CCc3ccccc32)cc1C
InChIInChI=1S/C18H18/c1-12-10-14(3)18(11-13(12)2)17-9-8-15-6-4-5-7-16(15)17/h4-7,9-11H,8H2,1-3H3
InChIKeyPPZTVBUACDUNAD-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.60
Rot. Bonds1

About 3-(2,4,5-trimethylphenyl)-1H-indene

3-(2,4,5-trimethylphenyl)-1H-indene (PubChem CID 90235042) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(2,4,5-trimethylphenyl)-1H-indene.

Molecular Properties

Compound Name3-(2,4,5-trimethylphenyl)-1H-indene
PubChem CID90235042
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name3-(2,4,5-trimethylphenyl)-1H-indene
SMILESCc1cc(C)c(C2=CCc3ccccc32)cc1C
InChIInChI=1S/C18H18/c1-12-10-14(3)18(11-13(12)2)17-9-8-15-6-4-5-7-16(15)17/h4-7,9-11H,8H2,1-3H3
InChIKeyPPZTVBUACDUNAD-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trimethylphenyl)-1H-indene?
The IUPAC name of 3-(2,4,5-trimethylphenyl)-1H-indene (CID 90235042) is 3-(2,4,5-trimethylphenyl)-1H-indene.
What is the SMILES notation for 3-(2,4,5-trimethylphenyl)-1H-indene?
The canonical SMILES for 3-(2,4,5-trimethylphenyl)-1H-indene is Cc1cc(C)c(C2=CCc3ccccc32)cc1C.
What is the InChIKey of 3-(2,4,5-trimethylphenyl)-1H-indene?
The InChIKey is PPZTVBUACDUNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-12-10-14(3)18(11-13(12)2)17-9-8-15-6-4-5-7-16(15)17/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 3-(2,4,5-trimethylphenyl)-1H-indene?
3-(2,4,5-trimethylphenyl)-1H-indene has a molecular weight of 234.34 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trimethylphenyl)-1H-indene is sourced from PubChem (CID 90235042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).