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

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Related Compounds

1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
(3-ethyl-2,5-dimethylphenyl)methanol
CID 59663906
2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene
CID 159571856
4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
3,5-diethyl-2-methylaniline
CID 105432272
6-[(3,5-dimethylphenyl)methyl]-1-ethylnaphthalene
CID 158506002
2-(3,5-dimethylphenyl)-1,3,5-triethylbenzene
CID 123795818
1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine
CID 58261025
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
4-[(4-amino-3,5-diethylphenyl)methyl]-2-ethyl-6-methylaniline;4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
CID 158632790
1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
CID 160945990
CID 140940252
CID 140940252

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).