2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol

C16H22F2O2 — CID 116755817

IUPAC2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
SMILESCOC1(C(O)Cc2ccc(F)c(F)c2)CCCCCC1
InChIInChI=1S/C16H22F2O2/c1-20-16(8-4-2-3-5-9-16)15(19)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,19H,2-5,8-9,11H2,1H3
InChIKeyYRTZMIQYUPQLNG-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.61
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol

2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol (PubChem CID 116755817) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
PubChem CID116755817
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
SMILESCOC1(C(O)Cc2ccc(F)c(F)c2)CCCCCC1
InChIInChI=1S/C16H22F2O2/c1-20-16(8-4-2-3-5-9-16)15(19)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,19H,2-5,8-9,11H2,1H3
InChIKeyYRTZMIQYUPQLNG-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 82920040
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754525
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 103039723
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763856
2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755966

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol (CID 116755817) is 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol is COC1(C(O)Cc2ccc(F)c(F)c2)CCCCCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol?
The InChIKey is YRTZMIQYUPQLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-20-16(8-4-2-3-5-9-16)15(19)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol?
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol has a molecular weight of 284.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol is sourced from PubChem (CID 116755817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).