5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene

C20H26 — CID 145013287

IUPAC5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene
SMILESCCc1cc(Cc2cc(C)cc(C)c2)cc(CC)c1C
InChIInChI=1S/C20H26/c1-6-19-12-18(13-20(7-2)16(19)5)11-17-9-14(3)8-15(4)10-17/h8-10,12-13H,6-7,11H2,1-5H3
InChIKeyHBFVYOXMQBRJAD-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.33
Rot. Bonds4

About 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene

5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene (PubChem CID 145013287) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene.

Molecular Properties

Compound Name5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene
PubChem CID145013287
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene
SMILESCCc1cc(Cc2cc(C)cc(C)c2)cc(CC)c1C
InChIInChI=1S/C20H26/c1-6-19-12-18(13-20(7-2)16(19)5)11-17-9-14(3)8-15(4)10-17/h8-10,12-13H,6-7,11H2,1-5H3
InChIKeyHBFVYOXMQBRJAD-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene 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 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene?
The IUPAC name of 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene (CID 145013287) is 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene.
What is the SMILES notation for 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene?
The canonical SMILES for 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene is CCc1cc(Cc2cc(C)cc(C)c2)cc(CC)c1C.
What is the InChIKey of 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene?
The InChIKey is HBFVYOXMQBRJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-6-19-12-18(13-20(7-2)16(19)5)11-17-9-14(3)8-15(4)10-17/h8-10,12-13H,6-7,11H2,1-5H3.
What are the key properties of 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene?
5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene has a molecular weight of 266.43 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene is sourced from PubChem (CID 145013287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).