1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene

C22H30 — CID 142247670

IUPAC1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene
SMILESCCCc1ccc(CC)c(-c2cc(C)ccc2C(C)(C)C)c1
InChIInChI=1S/C22H30/c1-7-9-17-11-12-18(8-2)19(15-17)20-14-16(3)10-13-21(20)22(4,5)6/h10-15H,7-9H2,1-6H3
InChIKeyMYBUCSJOOWWVQK-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.47
Rot. Bonds4

About 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene

1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene (PubChem CID 142247670) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene
PubChem CID142247670
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene
SMILESCCCc1ccc(CC)c(-c2cc(C)ccc2C(C)(C)C)c1
InChIInChI=1S/C22H30/c1-7-9-17-11-12-18(8-2)19(15-17)20-14-16(3)10-13-21(20)22(4,5)6/h10-15H,7-9H2,1-6H3
InChIKeyMYBUCSJOOWWVQK-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-7-propylanthracene-9,10-dione
CID 118026365
1,2-diethyl-4-propylbenzene
CID 54363919
2-tert-butyl-1-fluoro-4-propylbenzene
CID 139403848
2-bromo-1-ethyl-4-propylbenzene
CID 67149961
2-methyl-7-propylnaphthalene
CID 59912073
2-ethyl-5-propylphenol
CID 522454
1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene
CID 174009855
1,4-ditert-butyl-2-(2,5-dimethylphenyl)benzene
CID 173062231
1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene
CID 91269035
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1,2-diethyl-4-methylbenzene;methane
CID 174446118
N-[(2,4-dimethylphenyl)methyl]-4-propylaniline
CID 28533928

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene?
The IUPAC name of 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene (CID 142247670) is 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene.
What is the SMILES notation for 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene?
The canonical SMILES for 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene is CCCc1ccc(CC)c(-c2cc(C)ccc2C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene?
The InChIKey is MYBUCSJOOWWVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-7-9-17-11-12-18(8-2)19(15-17)20-14-16(3)10-13-21(20)22(4,5)6/h10-15H,7-9H2,1-6H3.
What are the key properties of 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene?
1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene is sourced from PubChem (CID 142247670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).