1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene

C26H30O2 — CID 13375946

IUPAC1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene
SMILESCCOc1ccc(C(C)(C)COCc2cccc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C26H30O2/c1-5-28-24-16-14-23(15-17-24)26(3,4)19-27-18-22-12-9-13-25(20(22)2)21-10-7-6-8-11-21/h6-17H,5,18-19H2,1-4H3
InChIKeyUKEGIXOVKSBBPT-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.56
Rot. Bonds8

About 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene

1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene (PubChem CID 13375946) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene.

Molecular Properties

Compound Name1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene
PubChem CID13375946
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene
SMILESCCOc1ccc(C(C)(C)COCc2cccc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C26H30O2/c1-5-28-24-16-14-23(15-17-24)26(3,4)19-27-18-22-12-9-13-25(20(22)2)21-10-7-6-8-11-21/h6-17H,5,18-19H2,1-4H3
InChIKeyUKEGIXOVKSBBPT-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-4-(2-methyl-1-phenylmethoxypropan-2-yl)benzene
CID 142632162
1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
CID 140963589
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 15582662
2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione
CID 134107407
1,2-bis(ethoxymethyl)-3-phenylbenzene
CID 67372084
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
4-ethoxy-1-iodo-2-phenylbenzene
CID 156900261
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene?
The IUPAC name of 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene (CID 13375946) is 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene.
What is the SMILES notation for 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene?
The canonical SMILES for 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene is CCOc1ccc(C(C)(C)COCc2cccc(-c3ccccc3)c2C)cc1.
What is the InChIKey of 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene?
The InChIKey is UKEGIXOVKSBBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-5-28-24-16-14-23(15-17-24)26(3,4)19-27-18-22-12-9-13-25(20(22)2)21-10-7-6-8-11-21/h6-17H,5,18-19H2,1-4H3.
What are the key properties of 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene?
1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene has a molecular weight of 374.52 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene is sourced from PubChem (CID 13375946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).