2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol

C25H34O3 — CID 174340784

IUPAC2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol
SMILESCC(C)Oc1ccc(C2(c3ccc(OCC(C)(C)O)cc3)CCCCC2)cc1
InChIInChI=1S/C25H34O3/c1-19(2)28-23-14-10-21(11-15-23)25(16-6-5-7-17-25)20-8-12-22(13-9-20)27-18-24(3,4)26/h8-15,19,26H,5-7,16-18H2,1-4H3
InChIKeyZMOXXYXNUCXKQE-UHFFFAOYSA-N
MW382.54 g/mol
LogP5.87
Rot. Bonds7

About 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol

2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol (PubChem CID 174340784) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol
PubChem CID174340784
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol
SMILESCC(C)Oc1ccc(C2(c3ccc(OCC(C)(C)O)cc3)CCCCC2)cc1
InChIInChI=1S/C25H34O3/c1-19(2)28-23-14-10-21(11-15-23)25(16-6-5-7-17-25)20-8-12-22(13-9-20)27-18-24(3,4)26/h8-15,19,26H,5-7,16-18H2,1-4H3
InChIKeyZMOXXYXNUCXKQE-UHFFFAOYSA-N
XLogP5.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

2-[4-[1-(4-chlorophenyl)cyclohexyl]phenoxy]propanoic acid;ethane
CID 143461733
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol
CID 167157883
1-(4-bromophenoxy)-2-methylpropan-2-ol
CID 21186342
1-prop-2-enoxy-4-[1-(4-prop-2-enoxyphenyl)cyclopentyl]benzene
CID 23117522
[4-[1-[4-(3-methylpentan-3-yloxy)phenyl]cyclohexyl]phenyl] 2,2-dimethylbutanoate
CID 89391826
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807
1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane
CID 146482116
1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
CID 20718251
1-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62796946
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 114794846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol (CID 174340784) is 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol is CC(C)Oc1ccc(C2(c3ccc(OCC(C)(C)O)cc3)CCCCC2)cc1.
What is the InChIKey of 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol?
The InChIKey is ZMOXXYXNUCXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3/c1-19(2)28-23-14-10-21(11-15-23)25(16-6-5-7-17-25)20-8-12-22(13-9-20)27-18-24(3,4)26/h8-15,19,26H,5-7,16-18H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol?
2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol has a molecular weight of 382.54 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol is sourced from PubChem (CID 174340784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).