3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol

C18H28O2 — CID 63427299

IUPAC3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)CCC1CCCCC1
InChIInChI=1S/C18H28O2/c1-3-20-18-12-9-14(2)13-16(18)17(19)11-10-15-7-5-4-6-8-15/h9,12-13,15,17,19H,3-8,10-11H2,1-2H3
InChIKeyVZTKSBWENXJMES-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.79
Rot. Bonds6

About 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol

3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol (PubChem CID 63427299) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
PubChem CID63427299
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)CCC1CCCCC1
InChIInChI=1S/C18H28O2/c1-3-20-18-12-9-14(2)13-16(18)17(19)11-10-15-7-5-4-6-8-15/h9,12-13,15,17,19H,3-8,10-11H2,1-2H3
InChIKeyVZTKSBWENXJMES-UHFFFAOYSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
3-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 82073989
1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
CID 117376905
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
CID 63442742
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510
[3-cyclohexyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105304395

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol (CID 63427299) is 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol is CCOc1ccc(C)cc1C(O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol?
The InChIKey is VZTKSBWENXJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-20-18-12-9-14(2)13-16(18)17(19)11-10-15-7-5-4-6-8-15/h9,12-13,15,17,19H,3-8,10-11H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol?
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 63427299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).