4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene

C19H20 — CID 87703570

IUPAC4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene
SMILESCC1=Cc2c(ccc(C)c2-c2cccc(C)c2C)C1
InChIInChI=1S/C19H20/c1-12-10-16-9-8-14(3)19(18(16)11-12)17-7-5-6-13(2)15(17)4/h5-9,11H,10H2,1-4H3
InChIKeyUUGVBTLBYVJYMP-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.24
Rot. Bonds1

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

4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene (PubChem CID 87703570) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene
PubChem CID87703570
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene
SMILESCC1=Cc2c(ccc(C)c2-c2cccc(C)c2C)C1
InChIInChI=1S/C19H20/c1-12-10-16-9-8-14(3)19(18(16)11-12)17-7-5-6-13(2)15(17)4/h5-9,11H,10H2,1-4H3
InChIKeyUUGVBTLBYVJYMP-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene?
The IUPAC name of 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene (CID 87703570) is 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene?
The canonical SMILES for 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene is CC1=Cc2c(ccc(C)c2-c2cccc(C)c2C)C1.
What is the InChIKey of 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene?
The InChIKey is UUGVBTLBYVJYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-12-10-16-9-8-14(3)19(18(16)11-12)17-7-5-6-13(2)15(17)4/h5-9,11H,10H2,1-4H3.
What are the key properties of 4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene?
4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene has a molecular weight of 248.37 g/mol, XLogP of 5.24, 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)-2,5-dimethyl-1H-indene is sourced from PubChem (CID 87703570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).