5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene

C22H30O — CID 135215833

IUPAC5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene
SMILESCOc1cc(C)c(C(C)C)c(Cc2cccc(C(C)C)c2C)c1
InChIInChI=1S/C22H30O/c1-14(2)21-10-8-9-18(17(21)6)12-19-13-20(23-7)11-16(5)22(19)15(3)4/h8-11,13-15H,12H2,1-7H3
InChIKeyHHWBLHMYXXTWGB-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.15
Rot. Bonds5

About 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene

5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene (PubChem CID 135215833) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene
PubChem CID135215833
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene
SMILESCOc1cc(C)c(C(C)C)c(Cc2cccc(C(C)C)c2C)c1
InChIInChI=1S/C22H30O/c1-14(2)21-10-8-9-18(17(21)6)12-19-13-20(23-7)11-16(5)22(19)15(3)4/h8-11,13-15H,12H2,1-7H3
InChIKeyHHWBLHMYXXTWGB-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene?
The IUPAC name of 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene (CID 135215833) is 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene?
The canonical SMILES for 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene is COc1cc(C)c(C(C)C)c(Cc2cccc(C(C)C)c2C)c1.
What is the InChIKey of 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene?
The InChIKey is HHWBLHMYXXTWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-14(2)21-10-8-9-18(17(21)6)12-19-13-20(23-7)11-16(5)22(19)15(3)4/h8-11,13-15H,12H2,1-7H3.
What are the key properties of 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene?
5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene has a molecular weight of 310.48 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 135215833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).