1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene

C24H32O2 — CID 167011620

IUPAC1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene
SMILESCOc1ccc(C2CC(C(C)C)CCC2(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H32O2/c1-17(2)19-14-15-24(3,20-8-12-22(26-5)13-9-20)23(16-19)18-6-10-21(25-4)11-7-18/h6-13,17,19,23H,14-16H2,1-5H3
InChIKeyUHWCZJXPIFHHEI-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.20
Rot. Bonds5

About 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene

1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene (PubChem CID 167011620) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene
PubChem CID167011620
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene
SMILESCOc1ccc(C2CC(C(C)C)CCC2(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H32O2/c1-17(2)19-14-15-24(3,20-8-12-22(26-5)13-9-20)23(16-19)18-6-10-21(25-4)11-7-18/h6-13,17,19,23H,14-16H2,1-5H3
InChIKeyUHWCZJXPIFHHEI-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]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-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene (CID 167011620) is 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene is COc1ccc(C2CC(C(C)C)CCC2(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene?
The InChIKey is UHWCZJXPIFHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c1-17(2)19-14-15-24(3,20-8-12-22(26-5)13-9-20)23(16-19)18-6-10-21(25-4)11-7-18/h6-13,17,19,23H,14-16H2,1-5H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene?
1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene has a molecular weight of 352.52 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene is sourced from PubChem (CID 167011620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).