1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene

C32H34O — CID 67863752

IUPAC1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
SMILESCc1ccccc1C(C)(OC(C)(c1ccccc1C)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C32H34O/c1-23-15-7-11-19-27(23)31(5,28-20-12-8-16-24(28)2)33-32(6,29-21-13-9-17-25(29)3)30-22-14-10-18-26(30)4/h7-22H,1-6H3
InChIKeyXSSYRNOAQWFDGF-UHFFFAOYSA-N
MW434.62 g/mol
LogP8.16
Rot. Bonds6

About 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene

1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene (PubChem CID 67863752) has the molecular formula C32H34O and a molecular weight of 434.62 g/mol. Its IUPAC name is 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
PubChem CID67863752
Molecular FormulaC32H34O
Molecular Weight434.62 g/mol
Exact Mass434.26
IUPAC Name1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
SMILESCc1ccccc1C(C)(OC(C)(c1ccccc1C)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C32H34O/c1-23-15-7-11-19-27(23)31(5,28-20-12-8-16-24(28)2)33-32(6,29-21-13-9-17-25(29)3)30-22-14-10-18-26(30)4/h7-22H,1-6H3
InChIKeyXSSYRNOAQWFDGF-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-ethoxy-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67864270
1-methyl-2-[2-[2-(2-methylphenyl)pent-3-en-2-yloxy]pent-3-en-2-yl]benzene
CID 70422916
2-ethyl-2-(2-methylphenyl)butan-1-amine
CID 60987168
1-(1-fluoro-1-iodoethyl)-2-methylbenzene
CID 170359847
1-(2,3-dimethylbutan-2-yl)-2-methylbenzene
CID 14195588
tris(2-methylphenyl)methoxysilane
CID 137329763
1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
CID 157275483
1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene
CID 175217008
acetylene;1,2-xylene
CID 175515922
1,2-xylene
CID 173422016
5-methoxy-5-methyl-2-(2-methylphenyl)hexan-2-ol
CID 103035054
1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene
CID 122489122

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene?
The IUPAC name of 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene (CID 67863752) is 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene.
What is the SMILES notation for 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene?
The canonical SMILES for 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene is Cc1ccccc1C(C)(OC(C)(c1ccccc1C)c1ccccc1C)c1ccccc1C.
What is the InChIKey of 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene?
The InChIKey is XSSYRNOAQWFDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O/c1-23-15-7-11-19-27(23)31(5,28-20-12-8-16-24(28)2)33-32(6,29-21-13-9-17-25(29)3)30-22-14-10-18-26(30)4/h7-22H,1-6H3.
What are the key properties of 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene?
1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene has a molecular weight of 434.62 g/mol, XLogP of 8.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene is sourced from PubChem (CID 67863752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).