1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene

C24H34O — CID 167076425

IUPAC1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene
SMILESCCc1cc(OCC(C)(C)c2cccc(CC)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H34O/c1-8-18-11-10-12-20(13-18)24(6,7)17-25-22-15-19(9-2)14-21(16-22)23(3,4)5/h10-16H,8-9,17H2,1-7H3
InChIKeyJHMPBTQADWIXQY-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.47
Rot. Bonds6

About 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene

1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene (PubChem CID 167076425) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene
PubChem CID167076425
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene
SMILESCCc1cc(OCC(C)(C)c2cccc(CC)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H34O/c1-8-18-11-10-12-20(13-18)24(6,7)17-25-22-15-19(9-2)14-21(16-22)23(3,4)5/h10-16H,8-9,17H2,1-7H3
InChIKeyJHMPBTQADWIXQY-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
4-(3-ethylphenyl)-4-methylpentan-1-amine
CID 70653652
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 59692130
1-[2-(bromomethyl)-2-ethylbutoxy]-3-ethylbenzene
CID 64998790
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
2-(3-ethyl-5-methoxyphenyl)-2-methylpropan-1-ol
CID 117297890
1-(2-methyl-1-prop-2-enoxypropan-2-yl)-3-phenylmethoxybenzene
CID 59204436
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-ethylphenyl) hypoiodite
CID 71211599

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene?
The IUPAC name of 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene (CID 167076425) is 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene.
What is the SMILES notation for 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene?
The canonical SMILES for 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene is CCc1cc(OCC(C)(C)c2cccc(CC)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene?
The InChIKey is JHMPBTQADWIXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-8-18-11-10-12-20(13-18)24(6,7)17-25-22-15-19(9-2)14-21(16-22)23(3,4)5/h10-16H,8-9,17H2,1-7H3.
What are the key properties of 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene?
1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene has a molecular weight of 338.54 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene is sourced from PubChem (CID 167076425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).