4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol

C18H28O2 — CID 63472705

IUPAC4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
SMILESCCC1CCC(O)C(Oc2ccc(C(C)C)c(C)c2)C1
InChIInChI=1S/C18H28O2/c1-5-14-6-9-17(19)18(11-14)20-15-7-8-16(12(2)3)13(4)10-15/h7-8,10,12,14,17-19H,5-6,9,11H2,1-4H3
InChIKeyARBCGWZODYFTQW-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.44
Rot. Bonds4

About 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol

4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol (PubChem CID 63472705) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
PubChem CID63472705
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
SMILESCCC1CCC(O)C(Oc2ccc(C(C)C)c(C)c2)C1
InChIInChI=1S/C18H28O2/c1-5-14-6-9-17(19)18(11-14)20-15-7-8-16(12(2)3)13(4)10-15/h7-8,10,12,14,17-19H,5-6,9,11H2,1-4H3
InChIKeyARBCGWZODYFTQW-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol (CID 63472705) is 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol is CCC1CCC(O)C(Oc2ccc(C(C)C)c(C)c2)C1.
What is the InChIKey of 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol?
The InChIKey is ARBCGWZODYFTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-14-6-9-17(19)18(11-14)20-15-7-8-16(12(2)3)13(4)10-15/h7-8,10,12,14,17-19H,5-6,9,11H2,1-4H3.
What are the key properties of 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol?
4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 63472705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).