2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol

C15H13ClF2O2 — CID 63661823

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cc(F)ccc1F
InChIInChI=1S/C15H13ClF2O2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-8-11(17)3-4-13(12)18/h2-6,8,14,19H,7H2,1H3
InChIKeyGJIBMBIKPUSOND-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.90
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol

2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol (PubChem CID 63661823) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
PubChem CID63661823
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cc(F)ccc1F
InChIInChI=1S/C15H13ClF2O2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-8-11(17)3-4-13(12)18/h2-6,8,14,19H,7H2,1H3
InChIKeyGJIBMBIKPUSOND-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
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2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
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2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148612
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol (CID 63661823) is 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol is COc1ccc(Cl)cc1CC(O)c1cc(F)ccc1F.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol?
The InChIKey is GJIBMBIKPUSOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-20-15-5-2-10(16)6-9(15)7-14(19)12-8-11(17)3-4-13(12)18/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol?
2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol has a molecular weight of 298.72 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 63661823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).