2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

C16H16F2O3 — CID 114981931

IUPAC2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F2O3/c1-20-14-4-3-5-15(21-2)16(14)13(19)9-10-8-11(17)6-7-12(10)18/h3-8,13,19H,9H2,1-2H3
InChIKeyIVRUNRDSKYUIAB-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.26
Rot. Bonds5

About 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (PubChem CID 114981931) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
PubChem CID114981931
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F2O3/c1-20-14-4-3-5-15(21-2)16(14)13(19)9-10-8-11(17)6-7-12(10)18/h3-8,13,19H,9H2,1-2H3
InChIKeyIVRUNRDSKYUIAB-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63016764
2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 63083872
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 115527686
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (CID 114981931) is 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is COc1cccc(OC)c1C(O)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The InChIKey is IVRUNRDSKYUIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-20-14-4-3-5-15(21-2)16(14)13(19)9-10-8-11(17)6-7-12(10)18/h3-8,13,19H,9H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol has a molecular weight of 294.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 114981931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).