3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol

C18H28O2 — CID 64750729

IUPAC3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol
SMILESCc1ccc(C(C)C)c(OC2C(C)CC(C)CC2O)c1
InChIInChI=1S/C18H28O2/c1-11(2)15-7-6-12(3)10-17(15)20-18-14(5)8-13(4)9-16(18)19/h6-7,10-11,13-14,16,18-19H,8-9H2,1-5H3
InChIKeyWYHMAQDELMJGMW-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.29
Rot. Bonds3

About 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol

3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol (PubChem CID 64750729) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol
PubChem CID64750729
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol
SMILESCc1ccc(C(C)C)c(OC2C(C)CC(C)CC2O)c1
InChIInChI=1S/C18H28O2/c1-11(2)15-7-6-12(3)10-17(15)20-18-14(5)8-13(4)9-16(18)19/h6-7,10-11,13-14,16,18-19H,8-9H2,1-5H3
InChIKeyWYHMAQDELMJGMW-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 64750920
2-(5-methyl-2-propan-2-ylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472349
3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79643944
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 79618661
3,5-dimethyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 64751590
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892474
(5-methyl-2-propan-2-ylphenyl) 2,2-dimethylcyclopropane-1-carboxylate
CID 137492386
2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine
CID 64752568
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751211

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol (CID 64750729) is 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol is Cc1ccc(C(C)C)c(OC2C(C)CC(C)CC2O)c1.
What is the InChIKey of 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol?
The InChIKey is WYHMAQDELMJGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-11(2)15-7-6-12(3)10-17(15)20-18-14(5)8-13(4)9-16(18)19/h6-7,10-11,13-14,16,18-19H,8-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol?
3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 64750729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).