2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol

C16H22Cl2O2 — CID 107308277

IUPAC2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
SMILESCCOC1(C(O)Cc2cccc(Cl)c2Cl)CCCCC1
InChIInChI=1S/C16H22Cl2O2/c1-2-20-16(9-4-3-5-10-16)14(19)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,2-5,9-11H2,1H3
InChIKeyZMHXTBHGFXBJQH-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.64
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol

2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol (PubChem CID 107308277) has the molecular formula C16H22Cl2O2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
PubChem CID107308277
Molecular FormulaC16H22Cl2O2
Molecular Weight317.26 g/mol
Exact Mass316.10
IUPAC Name2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
SMILESCCOC1(C(O)Cc2cccc(Cl)c2Cl)CCCCC1
InChIInChI=1S/C16H22Cl2O2/c1-2-20-16(9-4-3-5-10-16)14(19)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,2-5,9-11H2,1H3
InChIKeyZMHXTBHGFXBJQH-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 102618286
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 107308282
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
[2-(3-chloro-2-fluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 102868215

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol (CID 107308277) is 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol is CCOC1(C(O)Cc2cccc(Cl)c2Cl)CCCCC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol?
The InChIKey is ZMHXTBHGFXBJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O2/c1-2-20-16(9-4-3-5-10-16)14(19)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,2-5,9-11H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol?
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol has a molecular weight of 317.26 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol is sourced from PubChem (CID 107308277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).