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

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Related Compounds

1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
3-(4-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538662
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
(2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene
CID 88847490
3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
CID 55111942
4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 63411885
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline
CID 63464881
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
CID 143890955
2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422834

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).