1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

C25H28O2 — CID 3027252

IUPAC1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1C
InChIInChI=1S/C25H28O2/c1-19-13-14-22(15-20(19)2)25(3,4)18-26-17-21-9-8-12-24(16-21)27-23-10-6-5-7-11-23/h5-16H,17-18H2,1-4H3
InChIKeyMEEUWRWLNXRPDU-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.59
Rot. Bonds7

About 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 3027252) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID3027252
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1C
InChIInChI=1S/C25H28O2/c1-19-13-14-22(15-20(19)2)25(3,4)18-26-17-21-9-8-12-24(16-21)27-23-10-6-5-7-11-23/h5-16H,17-18H2,1-4H3
InChIKeyMEEUWRWLNXRPDU-UHFFFAOYSA-N
XLogP6.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]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-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 3027252) is 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is Cc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1C.
What is the InChIKey of 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is MEEUWRWLNXRPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-19-13-14-22(15-20(19)2)25(3,4)18-26-17-21-9-8-12-24(16-21)27-23-10-6-5-7-11-23/h5-16H,17-18H2,1-4H3.
What are the key properties of 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene has a molecular weight of 360.50 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3027252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).