1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene

C24H26O3 — CID 3067120

IUPAC1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene
SMILESCOc1ccc(Oc2cccc(COCC(C)(C)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26O3/c1-24(2,20-9-5-4-6-10-20)18-26-17-19-8-7-11-23(16-19)27-22-14-12-21(25-3)13-15-22/h4-16H,17-18H2,1-3H3
InChIKeyYEMDMPPNPIJJOF-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.98
Rot. Bonds8

About 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene

1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene (PubChem CID 3067120) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene
PubChem CID3067120
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene
SMILESCOc1ccc(Oc2cccc(COCC(C)(C)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26O3/c1-24(2,20-9-5-4-6-10-20)18-26-17-19-8-7-11-23(16-19)27-22-14-12-21(25-3)13-15-22/h4-16H,17-18H2,1-3H3
InChIKeyYEMDMPPNPIJJOF-UHFFFAOYSA-N
XLogP5.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]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-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene?
The IUPAC name of 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene (CID 3067120) is 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene?
The canonical SMILES for 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene is COc1ccc(Oc2cccc(COCC(C)(C)c3ccccc3)c2)cc1.
What is the InChIKey of 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene?
The InChIKey is YEMDMPPNPIJJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-24(2,20-9-5-4-6-10-20)18-26-17-19-8-7-11-23(16-19)27-22-14-12-21(25-3)13-15-22/h4-16H,17-18H2,1-3H3.
What are the key properties of 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene?
1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene has a molecular weight of 362.47 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene is sourced from PubChem (CID 3067120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).