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

C18H18 — CID 21095865

IUPAC1-(2,3,4-trimethylphenyl)-1H-indene
SMILESCc1ccc(C2C=Cc3ccccc32)c(C)c1C
InChIInChI=1S/C18H18/c1-12-8-10-16(14(3)13(12)2)18-11-9-15-6-4-5-7-17(15)18/h4-11,18H,1-3H3
InChIKeyMHXAGAFIBBGIOM-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.77
Rot. Bonds1

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

1-(2,3,4-trimethylphenyl)-1H-indene (PubChem CID 21095865) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,3,4-trimethylphenyl)-1H-indene.

Molecular Properties

Compound Name1-(2,3,4-trimethylphenyl)-1H-indene
PubChem CID21095865
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-(2,3,4-trimethylphenyl)-1H-indene
SMILESCc1ccc(C2C=Cc3ccccc32)c(C)c1C
InChIInChI=1S/C18H18/c1-12-8-10-16(14(3)13(12)2)18-11-9-15-6-4-5-7-17(15)18/h4-11,18H,1-3H3
InChIKeyMHXAGAFIBBGIOM-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethylphenyl)-1H-indene?
The IUPAC name of 1-(2,3,4-trimethylphenyl)-1H-indene (CID 21095865) is 1-(2,3,4-trimethylphenyl)-1H-indene.
What is the SMILES notation for 1-(2,3,4-trimethylphenyl)-1H-indene?
The canonical SMILES for 1-(2,3,4-trimethylphenyl)-1H-indene is Cc1ccc(C2C=Cc3ccccc32)c(C)c1C.
What is the InChIKey of 1-(2,3,4-trimethylphenyl)-1H-indene?
The InChIKey is MHXAGAFIBBGIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-12-8-10-16(14(3)13(12)2)18-11-9-15-6-4-5-7-17(15)18/h4-11,18H,1-3H3.
What are the key properties of 1-(2,3,4-trimethylphenyl)-1H-indene?
1-(2,3,4-trimethylphenyl)-1H-indene has a molecular weight of 234.34 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethylphenyl)-1H-indene is sourced from PubChem (CID 21095865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).