1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol

C12H24O2 — CID 70433209

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol
SMILESCC(O)C1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C12H24O2/c1-9(13)10-5-7-11(8-6-10)14-12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyWOIFHALNONMHFB-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds2

About 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol

1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol (PubChem CID 70433209) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol
PubChem CID70433209
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol
SMILESCC(O)C1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C12H24O2/c1-9(13)10-5-7-11(8-6-10)14-12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyWOIFHALNONMHFB-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]propan-1-ol
CID 110010925
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride
CID 129247786
1-(3-methylcyclopentyl)ethanol
CID 12501270
3-cyclohexyl-3-cyclohexyloxybutan-2-ol
CID 158414687
3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 170257592
2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 155458223
1-[4-(1-methoxypropyl)cyclohexyl]ethanol
CID 139792579
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
CID 176728249

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol (CID 70433209) is 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol is CC(O)C1CCC(OC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol?
The InChIKey is WOIFHALNONMHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(13)10-5-7-11(8-6-10)14-12(2,3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol?
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanol is sourced from PubChem (CID 70433209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).