1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene

C32H46O2 — CID 19738810

IUPAC1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene
SMILESCC1CCC(CCCOc2ccc(-c3ccc(OCCCC4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C32H46O2/c1-25-7-11-27(12-8-25)5-3-23-33-31-19-15-29(16-20-31)30-17-21-32(22-18-30)34-24-4-6-28-13-9-26(2)10-14-28/h15-22,25-28H,3-14,23-24H2,1-2H3
InChIKeyISACUHSUKBAEDX-UHFFFAOYSA-N
MW462.72 g/mol
LogP9.32
Rot. Bonds11

About 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene

1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene (PubChem CID 19738810) has the molecular formula C32H46O2 and a molecular weight of 462.72 g/mol. Its IUPAC name is 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene.

Molecular Properties

Compound Name1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene
PubChem CID19738810
Molecular FormulaC32H46O2
Molecular Weight462.72 g/mol
Exact Mass462.35
IUPAC Name1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene
SMILESCC1CCC(CCCOc2ccc(-c3ccc(OCCCC4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C32H46O2/c1-25-7-11-27(12-8-25)5-3-23-33-31-19-15-29(16-20-31)30-17-21-32(22-18-30)34-24-4-6-28-13-9-26(2)10-14-28/h15-22,25-28H,3-14,23-24H2,1-2H3
InChIKeyISACUHSUKBAEDX-UHFFFAOYSA-N
XLogP9.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene
CID 163951571
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 19739078
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
5-[4-(4-methylcyclohexyl)butyl]-2-[6-[4-(4-methylphenyl)phenoxy]hexyl]-1,3-dioxane
CID 59265408
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene?
The IUPAC name of 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene (CID 19738810) is 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene.
What is the SMILES notation for 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene?
The canonical SMILES for 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene is CC1CCC(CCCOc2ccc(-c3ccc(OCCCC4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene?
The InChIKey is ISACUHSUKBAEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O2/c1-25-7-11-27(12-8-25)5-3-23-33-31-19-15-29(16-20-31)30-17-21-32(22-18-30)34-24-4-6-28-13-9-26(2)10-14-28/h15-22,25-28H,3-14,23-24H2,1-2H3.
What are the key properties of 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene?
1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene has a molecular weight of 462.72 g/mol, XLogP of 9.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene is sourced from PubChem (CID 19738810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).