1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene

C24H34O — CID 169097022

IUPAC1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene
SMILESCc1cccc(C(C)C(C)(C)OC(C)(C)C(C)c2cccc(C)c2)c1
InChIInChI=1S/C24H34O/c1-17-11-9-13-21(15-17)19(3)23(5,6)25-24(7,8)20(4)22-14-10-12-18(2)16-22/h9-16,19-20H,1-8H3
InChIKeyLYONREZKGLPOIB-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.78
Rot. Bonds6

About 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene

1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene (PubChem CID 169097022) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene
PubChem CID169097022
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene
SMILESCc1cccc(C(C)C(C)(C)OC(C)(C)C(C)c2cccc(C)c2)c1
InChIInChI=1S/C24H34O/c1-17-11-9-13-21(15-17)19(3)23(5,6)25-24(7,8)20(4)22-14-10-12-18(2)16-22/h9-16,19-20H,1-8H3
InChIKeyLYONREZKGLPOIB-UHFFFAOYSA-N
XLogP6.78
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 ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
CID 142381961
CID 142381961
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
CID 140937180
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
CID 155931226

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene?
The IUPAC name of 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene (CID 169097022) is 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene.
What is the SMILES notation for 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene?
The canonical SMILES for 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene is Cc1cccc(C(C)C(C)(C)OC(C)(C)C(C)c2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene?
The InChIKey is LYONREZKGLPOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-17-11-9-13-21(15-17)19(3)23(5,6)25-24(7,8)20(4)22-14-10-12-18(2)16-22/h9-16,19-20H,1-8H3.
What are the key properties of 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene?
1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene has a molecular weight of 338.54 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene is sourced from PubChem (CID 169097022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).