2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol

C16H22ClFO2 — CID 102618286

IUPAC2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
SMILESCCOC1(C(O)Cc2cc(F)ccc2Cl)CCCCC1
InChIInChI=1S/C16H22ClFO2/c1-2-20-16(8-4-3-5-9-16)15(19)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,19H,2-5,8-9,11H2,1H3
InChIKeyDQVBOXNDVHNEOD-UHFFFAOYSA-N
MW300.80 g/mol
LogP4.12
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol

2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol (PubChem CID 102618286) has the molecular formula C16H22ClFO2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
PubChem CID102618286
Molecular FormulaC16H22ClFO2
Molecular Weight300.80 g/mol
Exact Mass300.13
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
SMILESCCOC1(C(O)Cc2cc(F)ccc2Cl)CCCCC1
InChIInChI=1S/C16H22ClFO2/c1-2-20-16(8-4-3-5-9-16)15(19)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,19H,2-5,8-9,11H2,1H3
InChIKeyDQVBOXNDVHNEOD-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150
[(2-chloro-5-fluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105397987
1-[1-amino-2-(2-chloro-5-fluorophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 102619079
1-(1-ethoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 116753691
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol (CID 102618286) is 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol is CCOC1(C(O)Cc2cc(F)ccc2Cl)CCCCC1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol?
The InChIKey is DQVBOXNDVHNEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO2/c1-2-20-16(8-4-3-5-9-16)15(19)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol?
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol has a molecular weight of 300.80 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol is sourced from PubChem (CID 102618286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).