2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol

C17H24ClFO2 — CID 116755178

IUPAC2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
SMILESCCOC1(C(O)Cc2cccc(F)c2Cl)CCCC(C)C1
InChIInChI=1S/C17H24ClFO2/c1-3-21-17(9-5-6-12(2)11-17)15(20)10-13-7-4-8-14(19)16(13)18/h4,7-8,12,15,20H,3,5-6,9-11H2,1-2H3
InChIKeyBMOUFRLBLKYGRU-UHFFFAOYSA-N
MW314.83 g/mol
LogP4.37
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol (PubChem CID 116755178) has the molecular formula C17H24ClFO2 and a molecular weight of 314.83 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
PubChem CID116755178
Molecular FormulaC17H24ClFO2
Molecular Weight314.83 g/mol
Exact Mass314.14
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
SMILESCCOC1(C(O)Cc2cccc(F)c2Cl)CCCC(C)C1
InChIInChI=1S/C17H24ClFO2/c1-3-21-17(9-5-6-12(2)11-17)15(20)10-13-7-4-8-14(19)16(13)18/h4,7-8,12,15,20H,3,5-6,9-11H2,1-2H3
InChIKeyBMOUFRLBLKYGRU-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 107308282
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755187
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
1-(2,3-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768338
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol (CID 116755178) is 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol is CCOC1(C(O)Cc2cccc(F)c2Cl)CCCC(C)C1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The InChIKey is BMOUFRLBLKYGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO2/c1-3-21-17(9-5-6-12(2)11-17)15(20)10-13-7-4-8-14(19)16(13)18/h4,7-8,12,15,20H,3,5-6,9-11H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol has a molecular weight of 314.83 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol is sourced from PubChem (CID 116755178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).