2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol

C16H22ClFO2 — CID 116755966

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
SMILESCOC1(C(O)Cc2c(F)cccc2Cl)CCCCCC1
InChIInChI=1S/C16H22ClFO2/c1-20-16(9-4-2-3-5-10-16)15(19)11-12-13(17)7-6-8-14(12)18/h6-8,15,19H,2-5,9-11H2,1H3
InChIKeyWUUHIVVUSWRNRW-UHFFFAOYSA-N
MW300.80 g/mol
LogP4.12
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol (PubChem CID 116755966) has the molecular formula C16H22ClFO2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
PubChem CID116755966
Molecular FormulaC16H22ClFO2
Molecular Weight300.80 g/mol
Exact Mass300.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
SMILESCOC1(C(O)Cc2c(F)cccc2Cl)CCCCCC1
InChIInChI=1S/C16H22ClFO2/c1-20-16(9-4-2-3-5-10-16)15(19)11-12-13(17)7-6-8-14(12)18/h6-8,15,19H,2-5,9-11H2,1H3
InChIKeyWUUHIVVUSWRNRW-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol
CID 116779685
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109
[(2-chloro-6-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 114275469
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol (CID 116755966) is 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol is COC1(C(O)Cc2c(F)cccc2Cl)CCCCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol?
The InChIKey is WUUHIVVUSWRNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO2/c1-20-16(9-4-2-3-5-10-16)15(19)11-12-13(17)7-6-8-14(12)18/h6-8,15,19H,2-5,9-11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol has a molecular weight of 300.80 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol is sourced from PubChem (CID 116755966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).