1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol

C25H36O3 — CID 14770347

IUPAC1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)c(C)c(OC)c(C(O)(c2ccc(C(C)(C)C)cc2)C(C)C)c1C
InChIInChI=1S/C25H36O3/c1-15(2)25(26,20-13-11-19(12-14-20)24(6,7)8)21-18(5)22(27-9)16(3)17(4)23(21)28-10/h11-15,26H,1-10H3
InChIKeyPXFMXLHNUJRRHH-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.82
Rot. Bonds5

About 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol

1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol (PubChem CID 14770347) has the molecular formula C25H36O3 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol
PubChem CID14770347
Molecular FormulaC25H36O3
Molecular Weight384.56 g/mol
Exact Mass384.27
IUPAC Name1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)c(C)c(OC)c(C(O)(c2ccc(C(C)(C)C)cc2)C(C)C)c1C
InChIInChI=1S/C25H36O3/c1-15(2)25(26,20-13-11-19(12-14-20)24(6,7)8)21-18(5)22(27-9)16(3)17(4)23(21)28-10/h11-15,26H,1-10H3
InChIKeyPXFMXLHNUJRRHH-UHFFFAOYSA-N
XLogP5.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol (CID 14770347) is 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol is COc1c(C)c(C)c(OC)c(C(O)(c2ccc(C(C)(C)C)cc2)C(C)C)c1C.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is PXFMXLHNUJRRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O3/c1-15(2)25(26,20-13-11-19(12-14-20)24(6,7)8)21-18(5)22(27-9)16(3)17(4)23(21)28-10/h11-15,26H,1-10H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol?
1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 384.56 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 14770347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).