2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol

C16H23ClO2 — CID 105103670

IUPAC2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClO2/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16,18H,2,6-9,11H2,1H3
InChIKeyVDEUUCBDPACRDP-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.30
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol

2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol (PubChem CID 105103670) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
PubChem CID105103670
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
SMILESCCC1CCC(C(O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClO2/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16,18H,2,6-9,11H2,1H3
InChIKeyVDEUUCBDPACRDP-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
CID 105155171
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
1-(3-chlorophenoxy)-3-[(3-ethylcyclohexyl)amino]propan-2-ol
CID 64741452
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112683
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
3-(3-chlorophenoxy)-2-(thiolan-3-yl)propan-1-ol
CID 117237859
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol (CID 105103670) is 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol is CCC1CCC(C(O)COc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol?
The InChIKey is VDEUUCBDPACRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16,18H,2,6-9,11H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol?
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol has a molecular weight of 282.81 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol is sourced from PubChem (CID 105103670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).