1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene

C31H44O2 — CID 130450383

IUPAC1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene
SMILESCC1CCC(C(C)(C)C2CCC(Oc3ccc(-c4ccc(OC(C)C)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H44O2/c1-22(2)32-28-16-8-24(9-17-28)25-10-18-29(19-11-25)33-30-20-14-27(15-21-30)31(4,5)26-12-6-23(3)7-13-26/h8-11,16-19,22-23,26-27,30H,6-7,12-15,20-21H2,1-5H3
InChIKeyOQUDXEWROWXMSW-UHFFFAOYSA-N
MW448.69 g/mol
LogP8.93
Rot. Bonds7

About 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene

1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene (PubChem CID 130450383) has the molecular formula C31H44O2 and a molecular weight of 448.69 g/mol. Its IUPAC name is 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene.

Molecular Properties

Compound Name1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene
PubChem CID130450383
Molecular FormulaC31H44O2
Molecular Weight448.69 g/mol
Exact Mass448.33
IUPAC Name1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene
SMILESCC1CCC(C(C)(C)C2CCC(Oc3ccc(-c4ccc(OC(C)C)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H44O2/c1-22(2)32-28-16-8-24(9-17-28)25-10-18-29(19-11-25)33-30-20-14-27(15-21-30)31(4,5)26-12-6-23(3)7-13-26/h8-11,16-19,22-23,26-27,30H,6-7,12-15,20-21H2,1-5H3
InChIKeyOQUDXEWROWXMSW-UHFFFAOYSA-N
XLogP8.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene with MolForge

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Related Compounds

Bisphenol A diglycidyl ether
CID 2286
Etofenprox
CID 71245
p-tert-Butylphenyl glycidyl ether
CID 18360
Triton X 100
CID 5590
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
1,1,2,2-Tetrakis(4-glycidoxyphenyl)ethane
CID 62630
Promestriene
CID 9883915
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
Halfenprox
CID 10140464
Diacryl
CID 90508
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene?
The IUPAC name of 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene (CID 130450383) is 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene.
What is the SMILES notation for 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene?
The canonical SMILES for 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene is CC1CCC(C(C)(C)C2CCC(Oc3ccc(-c4ccc(OC(C)C)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene?
The InChIKey is OQUDXEWROWXMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44O2/c1-22(2)32-28-16-8-24(9-17-28)25-10-18-29(19-11-25)33-30-20-14-27(15-21-30)31(4,5)26-12-6-23(3)7-13-26/h8-11,16-19,22-23,26-27,30H,6-7,12-15,20-21H2,1-5H3.
What are the key properties of 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene?
1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene has a molecular weight of 448.69 g/mol, XLogP of 8.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene is sourced from PubChem (CID 130450383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).