1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene

C42H54O4 — CID 167577887

IUPAC1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene
SMILESCCC(C)(c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1.COc1ccc(C2(c3ccc(OC)c(C)c3)CCCCC2)cc1C
InChIInChI=1S/C22H28O2.C20H26O2/c1-16-14-18(8-10-20(16)23-3)22(12-6-5-7-13-22)19-9-11-21(24-4)17(2)15-19;1-7-20(4,16-8-10-18(21-5)14(2)12-16)17-9-11-19(22-6)15(3)13-17/h8-11,14-15H,5-7,12-13H2,1-4H3;8-13H,7H2,1-6H3
InChIKeyGTYSJWWRIHYRMV-UHFFFAOYSA-N
MW622.89 g/mol
LogP10.61
Rot. Bonds9

About 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene

1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene (PubChem CID 167577887) has the molecular formula C42H54O4 and a molecular weight of 622.89 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene
PubChem CID167577887
Molecular FormulaC42H54O4
Molecular Weight622.89 g/mol
Exact Mass622.40
IUPAC Name1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene
SMILESCCC(C)(c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1.COc1ccc(C2(c3ccc(OC)c(C)c3)CCCCC2)cc1C
InChIInChI=1S/C22H28O2.C20H26O2/c1-16-14-18(8-10-20(16)23-3)22(12-6-5-7-13-22)19-9-11-21(24-4)17(2)15-19;1-7-20(4,16-8-10-18(21-5)14(2)12-16)17-9-11-19(22-6)15(3)13-17/h8-11,14-15H,5-7,12-13H2,1-4H3;8-13H,7H2,1-6H3
InChIKeyGTYSJWWRIHYRMV-UHFFFAOYSA-N
XLogP10.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.89
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene with MolForge

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Related Compounds

2-methyl-1-(2-methylbutan-2-yloxy)-4-[1-[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]cyclohexyl]benzene
CID 139394289
4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175
4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
CID 82084196
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
CID 82127349
[4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol
CID 58271454
[4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenyl] methyl carbonate;methyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 158694343
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene
CID 163998765
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
CID 171057442
[4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylphenyl] 4-acetylnaphthalene-1-carboxylate
CID 153279975
[4-[1-(4-methoxy-3-methylphenyl)cyclopentyl]-2-methylphenyl] 3-acetylbenzoate
CID 23547410

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene (CID 167577887) is 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene is CCC(C)(c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1.COc1ccc(C2(c3ccc(OC)c(C)c3)CCCCC2)cc1C.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene?
The InChIKey is GTYSJWWRIHYRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2.C20H26O2/c1-16-14-18(8-10-20(16)23-3)22(12-6-5-7-13-22)19-9-11-21(24-4)17(2)15-19;1-7-20(4,16-8-10-18(21-5)14(2)12-16)17-9-11-19(22-6)15(3)13-17/h8-11,14-15H,5-7,12-13H2,1-4H3;8-13H,7H2,1-6H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene?
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene has a molecular weight of 622.89 g/mol, XLogP of 10.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene is sourced from PubChem (CID 167577887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).