4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene

C19H20 — CID 141475753

IUPAC4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene
SMILESCc1ccc(CC2C=Cc3c(C)ccc(C)c32)cc1
InChIInChI=1S/C19H20/c1-13-4-8-16(9-5-13)12-17-10-11-18-14(2)6-7-15(3)19(17)18/h4-11,17H,12H2,1-3H3
InChIKeyBVSIAGHEMNVBEM-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.96
Rot. Bonds2

About 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene

4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene (PubChem CID 141475753) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene.

Molecular Properties

Compound Name4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene
PubChem CID141475753
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene
SMILESCc1ccc(CC2C=Cc3c(C)ccc(C)c32)cc1
InChIInChI=1S/C19H20/c1-13-4-8-16(9-5-13)12-17-10-11-18-14(2)6-7-15(3)19(17)18/h4-11,17H,12H2,1-3H3
InChIKeyBVSIAGHEMNVBEM-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene?
The IUPAC name of 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene (CID 141475753) is 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene.
What is the SMILES notation for 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene?
The canonical SMILES for 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene is Cc1ccc(CC2C=Cc3c(C)ccc(C)c32)cc1.
What is the InChIKey of 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene?
The InChIKey is BVSIAGHEMNVBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-13-4-8-16(9-5-13)12-17-10-11-18-14(2)6-7-15(3)19(17)18/h4-11,17H,12H2,1-3H3.
What are the key properties of 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene?
4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene has a molecular weight of 248.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene is sourced from PubChem (CID 141475753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).