1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene

C23H32O2 — CID 58773897

IUPAC1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene
SMILESCc1c(C)c(C)c(OCOc2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C23H32O2/c1-12-14(3)18(7)22(19(8)15(12)4)24-11-25-23-20(9)16(5)13(2)17(6)21(23)10/h11H2,1-10H3
InChIKeyFICFKXDYGWURJC-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.19
Rot. Bonds4

About 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene

1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene (PubChem CID 58773897) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene
PubChem CID58773897
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene
SMILESCc1c(C)c(C)c(OCOc2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C23H32O2/c1-12-14(3)18(7)22(19(8)15(12)4)24-11-25-23-20(9)16(5)13(2)17(6)21(23)10/h11H2,1-10H3
InChIKeyFICFKXDYGWURJC-UHFFFAOYSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene (CID 58773897) is 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene is Cc1c(C)c(C)c(OCOc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene?
The InChIKey is FICFKXDYGWURJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-12-14(3)18(7)22(19(8)15(12)4)24-11-25-23-20(9)16(5)13(2)17(6)21(23)10/h11H2,1-10H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene?
1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene has a molecular weight of 340.51 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene is sourced from PubChem (CID 58773897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).