1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene

C34H36O4 — CID 23534042

IUPAC1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
SMILESCOc1cccc(C2(c3cccc(OC)c3)CCC(c3cccc(OC)c3)(c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C34H36O4/c1-35-29-13-5-9-25(21-29)33(26-10-6-14-30(22-26)36-2)17-19-34(20-18-33,27-11-7-15-31(23-27)37-3)28-12-8-16-32(24-28)38-4/h5-16,21-24H,17-20H2,1-4H3
InChIKeyZSEHZDFIVGYFSJ-UHFFFAOYSA-N
MW508.66 g/mol
LogP7.57
Rot. Bonds8

About 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene

1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene (PubChem CID 23534042) has the molecular formula C34H36O4 and a molecular weight of 508.66 g/mol. Its IUPAC name is 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
PubChem CID23534042
Molecular FormulaC34H36O4
Molecular Weight508.66 g/mol
Exact Mass508.26
IUPAC Name1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
SMILESCOc1cccc(C2(c3cccc(OC)c3)CCC(c3cccc(OC)c3)(c3cccc(OC)c3)CC2)c1
InChIInChI=1S/C34H36O4/c1-35-29-13-5-9-25(21-29)33(26-10-6-14-30(22-26)36-2)17-19-34(20-18-33,27-11-7-15-31(23-27)37-3)28-12-8-16-32(24-28)38-4/h5-16,21-24H,17-20H2,1-4H3
InChIKeyZSEHZDFIVGYFSJ-UHFFFAOYSA-N
XLogP7.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[1-(3-methoxyphenyl)cyclohexyl]phenyl] acetate
CID 20746508
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 134963199
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-(3-methoxyphenyl)adamantane
CID 54036220

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene?
The IUPAC name of 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene (CID 23534042) is 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene is COc1cccc(C2(c3cccc(OC)c3)CCC(c3cccc(OC)c3)(c3cccc(OC)c3)CC2)c1.
What is the InChIKey of 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene?
The InChIKey is ZSEHZDFIVGYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O4/c1-35-29-13-5-9-25(21-29)33(26-10-6-14-30(22-26)36-2)17-19-34(20-18-33,27-11-7-15-31(23-27)37-3)28-12-8-16-32(24-28)38-4/h5-16,21-24H,17-20H2,1-4H3.
What are the key properties of 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene?
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene has a molecular weight of 508.66 g/mol, XLogP of 7.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene is sourced from PubChem (CID 23534042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).