1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene

C26H38O — CID 175217008

IUPAC1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene
SMILESCCCCC(C)(OC(C)(CCCC)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C26H38O/c1-7-9-19-25(5,23-17-13-11-15-21(23)3)27-26(6,20-10-8-2)24-18-14-12-16-22(24)4/h11-18H,7-10,19-20H2,1-6H3
InChIKeyQUUZBQRMTZPZDD-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.83
Rot. Bonds10

About 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene

1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene (PubChem CID 175217008) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene
PubChem CID175217008
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene
SMILESCCCCC(C)(OC(C)(CCCC)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C26H38O/c1-7-9-19-25(5,23-17-13-11-15-21(23)3)27-26(6,20-10-8-2)24-18-14-12-16-22(24)4/h11-18H,7-10,19-20H2,1-6H3
InChIKeyQUUZBQRMTZPZDD-UHFFFAOYSA-N
XLogP7.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene?
The IUPAC name of 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene (CID 175217008) is 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene.
What is the SMILES notation for 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene?
The canonical SMILES for 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene is CCCCC(C)(OC(C)(CCCC)c1ccccc1C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene?
The InChIKey is QUUZBQRMTZPZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-7-9-19-25(5,23-17-13-11-15-21(23)3)27-26(6,20-10-8-2)24-18-14-12-16-22(24)4/h11-18H,7-10,19-20H2,1-6H3.
What are the key properties of 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene?
1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene has a molecular weight of 366.59 g/mol, XLogP of 7.83, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene is sourced from PubChem (CID 175217008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).