4-(2,3-dimethylphenyl)-2-methyl-1H-indene

C18H18 — CID 22259782

IUPAC4-(2,3-dimethylphenyl)-2-methyl-1H-indene
SMILESCC1=Cc2c(cccc2-c2cccc(C)c2C)C1
InChIInChI=1S/C18H18/c1-12-10-15-7-5-9-17(18(15)11-12)16-8-4-6-13(2)14(16)3/h4-9,11H,10H2,1-3H3
InChIKeyFAWUXOBXEWISFX-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.93
Rot. Bonds1

About 4-(2,3-dimethylphenyl)-2-methyl-1H-indene

4-(2,3-dimethylphenyl)-2-methyl-1H-indene (PubChem CID 22259782) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-2-methyl-1H-indene.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-2-methyl-1H-indene
PubChem CID22259782
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name4-(2,3-dimethylphenyl)-2-methyl-1H-indene
SMILESCC1=Cc2c(cccc2-c2cccc(C)c2C)C1
InChIInChI=1S/C18H18/c1-12-10-15-7-5-9-17(18(15)11-12)16-8-4-6-13(2)14(16)3/h4-9,11H,10H2,1-3H3
InChIKeyFAWUXOBXEWISFX-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-2-methyl-1H-indene?
The IUPAC name of 4-(2,3-dimethylphenyl)-2-methyl-1H-indene (CID 22259782) is 4-(2,3-dimethylphenyl)-2-methyl-1H-indene.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-2-methyl-1H-indene?
The canonical SMILES for 4-(2,3-dimethylphenyl)-2-methyl-1H-indene is CC1=Cc2c(cccc2-c2cccc(C)c2C)C1.
What is the InChIKey of 4-(2,3-dimethylphenyl)-2-methyl-1H-indene?
The InChIKey is FAWUXOBXEWISFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-12-10-15-7-5-9-17(18(15)11-12)16-8-4-6-13(2)14(16)3/h4-9,11H,10H2,1-3H3.
What are the key properties of 4-(2,3-dimethylphenyl)-2-methyl-1H-indene?
4-(2,3-dimethylphenyl)-2-methyl-1H-indene has a molecular weight of 234.34 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-2-methyl-1H-indene is sourced from PubChem (CID 22259782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).