2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol

C17H26O2 — CID 63473085

IUPAC2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cc(C)cc(OC2CC(C(C)C)CCC2O)c1
InChIInChI=1S/C17H26O2/c1-11(2)14-5-6-16(18)17(10-14)19-15-8-12(3)7-13(4)9-15/h7-9,11,14,16-18H,5-6,10H2,1-4H3
InChIKeyHOQIIDGUORTWEH-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.87
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol

2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63473085) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol
PubChem CID63473085
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cc(C)cc(OC2CC(C(C)C)CCC2O)c1
InChIInChI=1S/C17H26O2/c1-11(2)14-5-6-16(18)17(10-14)19-15-8-12(3)7-13(4)9-15/h7-9,11,14,16-18H,5-6,10H2,1-4H3
InChIKeyHOQIIDGUORTWEH-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(-)-Secoisolariciresinol
CID 65373
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
2-(p-Nonylphenoxy)ethanol
CID 7700
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
Dihydroguaiaretic Acid
CID 161924
Octahydrocurcumin
CID 11068834
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525
20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
CID 75622

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol (CID 63473085) is 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol is Cc1cc(C)cc(OC2CC(C(C)C)CCC2O)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is HOQIIDGUORTWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11(2)14-5-6-16(18)17(10-14)19-15-8-12(3)7-13(4)9-15/h7-9,11,14,16-18H,5-6,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol?
2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63473085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).