1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene

C34H38O2 — CID 121313085

IUPAC1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
SMILESCCc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C(C)C)c4)cc3)cc2)cc1C
InChIInChI=1S/C34H38O2/c1-8-26-10-16-31(21-25(26)5)35-29-17-11-27(12-18-29)34(6,7)28-13-19-30(20-14-28)36-32-15-9-24(4)33(22-32)23(2)3/h9-23H,8H2,1-7H3
InChIKeyTXIXDHSJAOOTLS-UHFFFAOYSA-N
MW478.68 g/mol
LogP9.90
Rot. Bonds8

About 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene

1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene (PubChem CID 121313085) has the molecular formula C34H38O2 and a molecular weight of 478.68 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
PubChem CID121313085
Molecular FormulaC34H38O2
Molecular Weight478.68 g/mol
Exact Mass478.29
IUPAC Name1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
SMILESCCc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C(C)C)c4)cc3)cc2)cc1C
InChIInChI=1S/C34H38O2/c1-8-26-10-16-31(21-25(26)5)35-29-17-11-27(12-18-29)34(6,7)28-13-19-30(20-14-28)36-32-15-9-24(4)33(22-32)23(2)3/h9-23H,8H2,1-7H3
InChIKeyTXIXDHSJAOOTLS-UHFFFAOYSA-N
XLogP9.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene
CID 170268037
2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene
CID 176946353
1-(3-methylpentan-3-yl)-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene
CID 143591790
4-(3,4-dimethylphenoxy)-1-[2-[4-[2-[4-[2-[4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylphenyl]ethyl]-3-methylphenyl]propan-2-yl]-2-methylphenyl]ethyl]-2-methylbenzene
CID 123849934
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate
CID 143099401
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene
CID 90327154
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene?
The IUPAC name of 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene (CID 121313085) is 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene.
What is the SMILES notation for 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene?
The canonical SMILES for 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene is CCc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C(C)C)c4)cc3)cc2)cc1C.
What is the InChIKey of 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene?
The InChIKey is TXIXDHSJAOOTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O2/c1-8-26-10-16-31(21-25(26)5)35-29-17-11-27(12-18-29)34(6,7)28-13-19-30(20-14-28)36-32-15-9-24(4)33(22-32)23(2)3/h9-23H,8H2,1-7H3.
What are the key properties of 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene?
1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene has a molecular weight of 478.68 g/mol, XLogP of 9.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene is sourced from PubChem (CID 121313085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).