1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene

C20H26O — CID 70475927

IUPAC1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene
SMILESCc1cccc(Oc2cccc(C)c2C(C)C)c1C(C)C
InChIInChI=1S/C20H26O/c1-13(2)19-15(5)9-7-11-17(19)21-18-12-8-10-16(6)20(18)14(3)4/h7-14H,1-6H3
InChIKeyZCEAEGYLOBRORY-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.34
Rot. Bonds4

About 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene

1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene (PubChem CID 70475927) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene
PubChem CID70475927
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene
SMILESCc1cccc(Oc2cccc(C)c2C(C)C)c1C(C)C
InChIInChI=1S/C20H26O/c1-13(2)19-15(5)9-7-11-17(19)21-18-12-8-10-16(6)20(18)14(3)4/h7-14H,1-6H3
InChIKeyZCEAEGYLOBRORY-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane
CID 158876581
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
1-[2-(2-fluoro-3-methylphenoxy)-6-methoxyphenyl]ethanol
CID 107659175
2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
CID 107655528
1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene
CID 70372863
1-(2,2-difluoroethyl)-3-methyl-2-propan-2-ylbenzene
CID 146481615
1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
CID 18968375
1-butyl-3-methyl-2-propan-2-ylbenzene
CID 123934054

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene?
The IUPAC name of 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene (CID 70475927) is 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene is Cc1cccc(Oc2cccc(C)c2C(C)C)c1C(C)C.
What is the InChIKey of 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene?
The InChIKey is ZCEAEGYLOBRORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-13(2)19-15(5)9-7-11-17(19)21-18-12-8-10-16(6)20(18)14(3)4/h7-14H,1-6H3.
What are the key properties of 1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene?
1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene has a molecular weight of 282.43 g/mol, XLogP of 6.34, 4 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-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene is sourced from PubChem (CID 70475927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).