2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol

C18H28O2 — CID 63473096

IUPAC2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C18H28O2/c1-4-7-14-10-11-16(19)18(12-14)20-17-9-6-5-8-15(17)13(2)3/h5-6,8-9,13-14,16,18-19H,4,7,10-12H2,1-3H3
InChIKeyKCVYXDKHZQBASL-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.52
Rot. Bonds5

About 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol

2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol (PubChem CID 63473096) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol
PubChem CID63473096
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C18H28O2/c1-4-7-14-10-11-16(19)18(12-14)20-17-9-6-5-8-15(17)13(2)3/h5-6,8-9,13-14,16,18-19H,4,7,10-12H2,1-3H3
InChIKeyKCVYXDKHZQBASL-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 43294024
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
2-(4-ethylphenoxy)-4-propylcyclohexan-1-ol
CID 63472519
N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 63476148
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
1,1-dioxo-4-(2-propan-2-ylphenoxy)thiolan-3-ol
CID 60880293
4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 63472705
2-(2,3-dihydro-1H-inden-5-yloxy)-4-propylcyclohexan-1-ol
CID 63466658
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
2-cyclobutyloxy-4-propylcyclohexan-1-ol
CID 62140098
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol (CID 63473096) is 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(Oc2ccccc2C(C)C)C1.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol?
The InChIKey is KCVYXDKHZQBASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-7-14-10-11-16(19)18(12-14)20-17-9-6-5-8-15(17)13(2)3/h5-6,8-9,13-14,16,18-19H,4,7,10-12H2,1-3H3.
What are the key properties of 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol?
2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63473096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).