2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol

C17H26O2 — CID 64746176

IUPAC2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)COC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H26O2/c1-12-4-7-15(8-5-12)17(18)11-19-16-9-6-13(2)14(3)10-16/h4-5,7-8,13-14,16-18H,6,9-11H2,1-3H3
InChIKeyWBMBDSWEWGVECH-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.87
Rot. Bonds4

About 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol

2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol (PubChem CID 64746176) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol
PubChem CID64746176
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)COC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H26O2/c1-12-4-7-15(8-5-12)17(18)11-19-16-9-6-13(2)14(3)10-16/h4-5,7-8,13-14,16-18H,6,9-11H2,1-3H3
InChIKeyWBMBDSWEWGVECH-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
CID 64746525
(1R)-1-(4-methylphenyl)-2-[(3S)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclopentyl]oxyethanol
CID 59992440
2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
CID 64745929
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol
CID 102607343
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
CID 64728823
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol
CID 115476156
2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64744360

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol (CID 64746176) is 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)COC2CCC(C)C(C)C2)cc1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol?
The InChIKey is WBMBDSWEWGVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12-4-7-15(8-5-12)17(18)11-19-16-9-6-13(2)14(3)10-16/h4-5,7-8,13-14,16-18H,6,9-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol?
2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol has a molecular weight of 262.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 64746176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).