1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene

C30H30O — CID 4248814

IUPAC1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene
SMILESCc1ccccc1C(OC(c1ccccc1C)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C30H30O/c1-21-13-5-9-17-25(21)29(26-18-10-6-14-22(26)2)31-30(27-19-11-7-15-23(27)3)28-20-12-8-16-24(28)4/h5-20,29-30H,1-4H3
InChIKeyVCZOHTFVSJUQSL-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.82
Rot. Bonds6

About 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene

1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene (PubChem CID 4248814) has the molecular formula C30H30O and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene
PubChem CID4248814
Molecular FormulaC30H30O
Molecular Weight406.57 g/mol
Exact Mass406.23
IUPAC Name1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene
SMILESCc1ccccc1C(OC(c1ccccc1C)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C30H30O/c1-21-13-5-9-17-25(21)29(26-18-10-6-14-22(26)2)31-30(27-19-11-7-15-23(27)3)28-20-12-8-16-24(28)4/h5-20,29-30H,1-4H3
InChIKeyVCZOHTFVSJUQSL-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene?
The IUPAC name of 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene (CID 4248814) is 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene.
What is the SMILES notation for 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene?
The canonical SMILES for 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene is Cc1ccccc1C(OC(c1ccccc1C)c1ccccc1C)c1ccccc1C.
What is the InChIKey of 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene?
The InChIKey is VCZOHTFVSJUQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O/c1-21-13-5-9-17-25(21)29(26-18-10-6-14-22(26)2)31-30(27-19-11-7-15-23(27)3)28-20-12-8-16-24(28)4/h5-20,29-30H,1-4H3.
What are the key properties of 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene?
1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene has a molecular weight of 406.57 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylphenyl)methoxy-(2-methylphenyl)methyl]-2-methylbenzene is sourced from PubChem (CID 4248814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).