1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene

C25H34O3 — CID 102295766

IUPAC1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
SMILESCOc1ccc(C(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H34O3/c1-17(2)23-15-6-18(3)16-24(23)28-25(19-7-11-21(26-4)12-8-19)20-9-13-22(27-5)14-10-20/h7-14,17-18,23-25H,6,15-16H2,1-5H3/t18-,23-,24+/m0/s1
InChIKeyHSZJMIQYBWEBHU-GKVQRAMASA-N
MW382.54 g/mol
LogP6.27
Rot. Bonds7

About 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene

1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene (PubChem CID 102295766) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
PubChem CID102295766
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
SMILESCOc1ccc(C(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H34O3/c1-17(2)23-15-6-18(3)16-24(23)28-25(19-7-11-21(26-4)12-8-19)20-9-13-22(27-5)14-10-20/h7-14,17-18,23-25H,6,15-16H2,1-5H3/t18-,23-,24+/m0/s1
InChIKeyHSZJMIQYBWEBHU-GKVQRAMASA-N
XLogP6.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene with MolForge

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Related Compounds

N-benzyl-1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-1-(4-methoxyphenyl)methanamine
CID 3343548
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 144774700
1-methoxy-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxybenzene
CID 46702320
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-(4-methoxyphenyl)propanoate
CID 102076289
(1R)-N-[(S)-(4-methoxyphenyl)-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]methyl]-1-phenylethanamine
CID 132583531
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methoxypyridin-1-ium-1-yl)acetate
CID 58592321
2-hydroxy-2-[4-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]acetic acid
CID 166450076
(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 75252742
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene
CID 101180265
N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 168868561

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene (CID 102295766) is 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene is COc1ccc(C(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene?
The InChIKey is HSZJMIQYBWEBHU-GKVQRAMASA-N. The full InChI is InChI=1S/C25H34O3/c1-17(2)23-15-6-18(3)16-24(23)28-25(19-7-11-21(26-4)12-8-19)20-9-13-22(27-5)14-10-20/h7-14,17-18,23-25H,6,15-16H2,1-5H3/t18-,23-,24+/m0/s1.
What are the key properties of 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene?
1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene has a molecular weight of 382.54 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene is sourced from PubChem (CID 102295766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).