2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol

C19H30O2 — CID 63472714

IUPAC2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(Oc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H30O2/c1-13(2)14-6-11-17(20)18(12-14)21-16-9-7-15(8-10-16)19(3,4)5/h7-10,13-14,17-18,20H,6,11-12H2,1-5H3
InChIKeyOTXSKZCMEMHGQH-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.55
Rot. Bonds3

About 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol

2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63472714) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol
PubChem CID63472714
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(Oc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H30O2/c1-13(2)14-6-11-17(20)18(12-14)21-16-9-7-15(8-10-16)19(3,4)5/h7-10,13-14,17-18,20H,6,11-12H2,1-5H3
InChIKeyOTXSKZCMEMHGQH-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63473085
2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 62704875
2-(5-methyl-2-propan-2-ylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472349
2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 62704274
(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 134851206
4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 13083812
ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate
CID 57309325
1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene
CID 140987029
2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63471772
2-(2-cyclobutylethoxy)-4-propan-2-ylcyclohexan-1-ol
CID 114157781
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
CID 55192847

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol (CID 63472714) is 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(Oc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is OTXSKZCMEMHGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-13(2)14-6-11-17(20)18(12-14)21-16-9-7-15(8-10-16)19(3,4)5/h7-10,13-14,17-18,20H,6,11-12H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol?
2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63472714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).