2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol

C18H28O3 — CID 64728823

IUPAC2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)COC1CC(C)CC(C)C1
InChIInChI=1S/C18H28O3/c1-12-5-6-18(20-4)16(10-12)17(19)11-21-15-8-13(2)7-14(3)9-15/h5-6,10,13-15,17,19H,7-9,11H2,1-4H3
InChIKeyVIUCXHJNEBSDTK-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.88
Rot. Bonds5

About 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol

2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 64728823) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID64728823
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)COC1CC(C)CC(C)C1
InChIInChI=1S/C18H28O3/c1-12-5-6-18(20-4)16(10-12)17(19)11-21-15-8-13(2)7-14(3)9-15/h5-6,10,13-15,17,19H,7-9,11H2,1-4H3
InChIKeyVIUCXHJNEBSDTK-UHFFFAOYSA-N
XLogP3.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64728380
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
1-(2-methoxy-5-methylphenyl)-2-(oxolan-3-yloxy)ethanol
CID 63558284
1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
2-(cyclopentylmethoxy)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66324372
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114201838
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol (CID 64728823) is 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1C(O)COC1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is VIUCXHJNEBSDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-12-5-6-18(20-4)16(10-12)17(19)11-21-15-8-13(2)7-14(3)9-15/h5-6,10,13-15,17,19H,7-9,11H2,1-4H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol?
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 292.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 64728823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).