1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene

C18H22 — CID 140985823

IUPAC1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
SMILESCCc1c(C)c(C)c(C)c(C)c1-c1ccccc1
InChIInChI=1S/C18H22/c1-6-17-14(4)12(2)13(3)15(5)18(17)16-10-8-7-9-11-16/h7-11H,6H2,1-5H3
InChIKeyCAZUQKDGXRFYAN-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.15
Rot. Bonds2

About 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene

1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene (PubChem CID 140985823) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
PubChem CID140985823
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
SMILESCCc1c(C)c(C)c(C)c(C)c1-c1ccccc1
InChIInChI=1S/C18H22/c1-6-17-14(4)12(2)13(3)15(5)18(17)16-10-8-7-9-11-16/h7-11H,6H2,1-5H3
InChIKeyCAZUQKDGXRFYAN-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3,4,5-trimethyl-6-phenylbenzenethiol
CID 140644848
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
1-bromo-4-ethyl-2,3,6-trimethyl-5-(4-methylphenyl)benzene
CID 144676488
1,2,3,4,5,6,8-heptamethyl-7,9,10-triphenylanthracene
CID 59002262
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
1-(cyclopropen-1-yl)-2-ethyl-3,4,5,6-tetramethylbenzene
CID 123254762
3,4-dimethyl-2,5,6-triphenylphosphinine
CID 102048135
2-benzyl-1,4-dimethyl-3-phenylnaphthalene
CID 102201254
(2,4-diethyl-3-phenylphenyl)methanamine
CID 174539213
1-ethyl-2,4-dimethyl-3,5-diphenylbenzene
CID 173306034
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene?
The IUPAC name of 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene (CID 140985823) is 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene.
What is the SMILES notation for 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene?
The canonical SMILES for 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene is CCc1c(C)c(C)c(C)c(C)c1-c1ccccc1.
What is the InChIKey of 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene?
The InChIKey is CAZUQKDGXRFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-6-17-14(4)12(2)13(3)15(5)18(17)16-10-8-7-9-11-16/h7-11H,6H2,1-5H3.
What are the key properties of 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene?
1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene is sourced from PubChem (CID 140985823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).